USER MOD reduce.3.24.130724 H: found=0, std=0, add=950, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 945 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 99 TYR OH : rot 0:sc= 0.513 USER MOD Set 1.2: A 114 THR OG1 : rot 125:sc= 0.782 USER MOD Set 2.1: A 85 TYR OH : rot -109:sc= -0.926! USER MOD Set 2.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 40 GLN : amide:sc= -2.64 K(o=-2.6,f=-4.7!) USER MOD Set 3.2: A 59 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 75 TYR OH : rot 29:sc= 0.0191 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 13 LYS NZ :NH3+ 177:sc= -0.528 (180deg=-0.585) USER MOD Single : A 27 ASN : amide:sc= -0.33 K(o=-0.33,f=-3.5!) USER MOD Single : A 36 TYR OH : rot 172:sc= 1.25 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -164:sc= -4.61! (180deg=-5.31!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= 0.385 (180deg=0.361) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.9 K(o=-1.9,f=-5.7!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -153:sc= -0.056 (180deg=-0.335) USER MOD Single : A 72 GLN : amide:sc= -0.0723 X(o=-0.072,f=-0.013) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0338 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.122 F(o=-0.74,f=-0.12) USER MOD Single : A 77 HIS : no HE2:sc= -1.76 K(o=-1.8,f=-3.3!) USER MOD Single : A 80 GLN : amide:sc= -0.0614 K(o=-0.061,f=-2.7!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.369 K(o=-0.37,f=-1.8) USER MOD Single : A 102 SER OG : rot -81:sc= 0.466 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot -30:sc= -0.112 USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0.08) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 124 TYR OH : rot 110:sc= -0.9 USER MOD Single : A 125 HIS : no HD1:sc= -1.04 X(o=-1,f=-0.82) USER MOD Single : A 127 GLN : amide:sc= -0.0918 K(o=-0.092,f=-1.1) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0.0252 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.495 0.184 -2.250 1.00 35.23 N ATOM 2 CA MET A 1 -7.718 -0.199 -1.076 1.00 54.54 C ATOM 3 C MET A 1 -6.542 -1.086 -1.469 1.00 64.03 C ATOM 4 O MET A 1 -6.673 -2.307 -1.552 1.00 12.25 O ATOM 5 CB MET A 1 -8.606 -0.927 -0.065 1.00 52.24 C ATOM 6 CG MET A 1 -9.306 0.005 0.911 1.00 72.14 C ATOM 7 SD MET A 1 -9.854 -0.840 2.406 1.00 32.30 S ATOM 8 CE MET A 1 -11.633 -0.737 2.221 1.00 62.23 C ATOM 0 H1 MET A 1 -9.290 0.787 -1.958 1.00 35.23 H new ATOM 0 H2 MET A 1 -7.888 0.708 -2.912 1.00 35.23 H new ATOM 0 H3 MET A 1 -8.862 -0.670 -2.717 1.00 35.23 H new ATOM 0 HA MET A 1 -7.328 0.709 -0.617 1.00 54.54 H new ATOM 0 HB2 MET A 1 -9.356 -1.506 -0.603 1.00 52.24 H new ATOM 0 HB3 MET A 1 -7.998 -1.637 0.496 1.00 52.24 H new ATOM 0 HG2 MET A 1 -8.629 0.815 1.183 1.00 72.14 H new ATOM 0 HG3 MET A 1 -10.166 0.460 0.420 1.00 72.14 H new ATOM 0 HE1 MET A 1 -12.116 -1.218 3.072 1.00 62.23 H new ATOM 0 HE2 MET A 1 -11.934 0.310 2.177 1.00 62.23 H new ATOM 0 HE3 MET A 1 -11.933 -1.240 1.302 1.00 62.23 H new ATOM 18 N ALA A 2 -5.392 -0.464 -1.711 1.00 72.32 N ATOM 19 CA ALA A 2 -4.192 -1.198 -2.094 1.00 34.32 C ATOM 20 C ALA A 2 -2.959 -0.638 -1.394 1.00 12.43 C ATOM 21 O ALA A 2 -2.141 -1.388 -0.859 1.00 15.43 O ATOM 22 CB ALA A 2 -4.008 -1.159 -3.604 1.00 14.44 C ATOM 0 H ALA A 2 -5.266 0.546 -1.649 1.00 72.32 H new ATOM 0 HA ALA A 2 -4.315 -2.235 -1.781 1.00 34.32 H new ATOM 0 HB1 ALA A 2 -3.108 -1.711 -3.875 1.00 14.44 H new ATOM 0 HB2 ALA A 2 -4.872 -1.614 -4.088 1.00 14.44 H new ATOM 0 HB3 ALA A 2 -3.911 -0.124 -3.932 1.00 14.44 H new ATOM 28 N LEU A 3 -2.830 0.685 -1.401 1.00 74.52 N ATOM 29 CA LEU A 3 -1.696 1.346 -0.767 1.00 5.30 C ATOM 30 C LEU A 3 -1.914 2.854 -0.697 1.00 12.35 C ATOM 31 O LEU A 3 -2.128 3.509 -1.717 1.00 70.11 O ATOM 32 CB LEU A 3 -0.408 1.042 -1.535 1.00 20.54 C ATOM 33 CG LEU A 3 0.899 1.348 -0.802 1.00 72.20 C ATOM 34 CD1 LEU A 3 1.997 0.394 -1.247 1.00 55.24 C ATOM 35 CD2 LEU A 3 1.316 2.792 -1.038 1.00 4.14 C ATOM 0 H LEU A 3 -3.497 1.320 -1.839 1.00 74.52 H new ATOM 0 HA LEU A 3 -1.606 0.962 0.249 1.00 5.30 H new ATOM 0 HB2 LEU A 3 -0.411 -0.014 -1.806 1.00 20.54 H new ATOM 0 HB3 LEU A 3 -0.421 1.610 -2.465 1.00 20.54 H new ATOM 0 HG LEU A 3 0.736 1.208 0.267 1.00 72.20 H new ATOM 0 HD11 LEU A 3 2.919 0.627 -0.715 1.00 55.24 H new ATOM 0 HD12 LEU A 3 1.700 -0.631 -1.026 1.00 55.24 H new ATOM 0 HD13 LEU A 3 2.160 0.502 -2.319 1.00 55.24 H new ATOM 0 HD21 LEU A 3 2.248 2.993 -0.509 1.00 4.14 H new ATOM 0 HD22 LEU A 3 1.461 2.959 -2.105 1.00 4.14 H new ATOM 0 HD23 LEU A 3 0.538 3.460 -0.669 1.00 4.14 H new ATOM 47 N ASP A 4 -1.857 3.399 0.514 1.00 51.14 N ATOM 48 CA ASP A 4 -2.046 4.831 0.717 1.00 23.23 C ATOM 49 C ASP A 4 -1.751 5.217 2.163 1.00 4.51 C ATOM 50 O ASP A 4 -1.270 4.401 2.949 1.00 52.14 O ATOM 51 CB ASP A 4 -3.474 5.236 0.349 1.00 2.11 C ATOM 52 CG ASP A 4 -3.513 6.358 -0.670 1.00 63.43 C ATOM 53 OD1 ASP A 4 -3.251 6.086 -1.860 1.00 44.35 O ATOM 54 OD2 ASP A 4 -3.804 7.507 -0.278 1.00 34.14 O ATOM 0 H ASP A 4 -1.682 2.871 1.369 1.00 51.14 H new ATOM 0 HA ASP A 4 -1.348 5.361 0.068 1.00 23.23 H new ATOM 0 HB2 ASP A 4 -4.003 4.370 -0.048 1.00 2.11 H new ATOM 0 HB3 ASP A 4 -4.004 5.548 1.249 1.00 2.11 H new ATOM 59 N ALA A 5 -2.041 6.468 2.507 1.00 44.12 N ATOM 60 CA ALA A 5 -1.807 6.963 3.858 1.00 72.21 C ATOM 61 C ALA A 5 -3.110 7.414 4.510 1.00 22.51 C ATOM 62 O ALA A 5 -3.256 7.356 5.730 1.00 32.12 O ATOM 63 CB ALA A 5 -0.803 8.106 3.835 1.00 21.44 C ATOM 0 H ALA A 5 -2.438 7.157 1.868 1.00 44.12 H new ATOM 0 HA ALA A 5 -1.397 6.146 4.452 1.00 72.21 H new ATOM 0 HB1 ALA A 5 -0.638 8.466 4.851 1.00 21.44 H new ATOM 0 HB2 ALA A 5 0.140 7.754 3.417 1.00 21.44 H new ATOM 0 HB3 ALA A 5 -1.191 8.919 3.221 1.00 21.44 H new ATOM 69 N ASN A 6 -4.053 7.863 3.689 1.00 71.24 N ATOM 70 CA ASN A 6 -5.344 8.325 4.187 1.00 64.25 C ATOM 71 C ASN A 6 -6.016 7.249 5.035 1.00 51.45 C ATOM 72 O ASN A 6 -5.486 6.150 5.196 1.00 50.01 O ATOM 73 CB ASN A 6 -6.254 8.714 3.020 1.00 32.21 C ATOM 74 CG ASN A 6 -6.665 10.173 3.069 1.00 61.20 C ATOM 75 OD1 ASN A 6 -7.125 10.666 4.099 1.00 22.41 O ATOM 76 ND2 ASN A 6 -6.500 10.871 1.952 1.00 54.34 N ATOM 0 H ASN A 6 -3.948 7.917 2.676 1.00 71.24 H new ATOM 0 HA ASN A 6 -5.173 9.201 4.813 1.00 64.25 H new ATOM 0 HB2 ASN A 6 -5.739 8.516 2.080 1.00 32.21 H new ATOM 0 HB3 ASN A 6 -7.146 8.087 3.034 1.00 32.21 H new ATOM 0 HD21 ASN A 6 -6.758 11.857 1.924 1.00 54.34 H new ATOM 0 HD22 ASN A 6 -6.115 10.421 1.122 1.00 54.34 H new ATOM 83 N ASP A 7 -7.186 7.574 5.573 1.00 11.42 N ATOM 84 CA ASP A 7 -7.933 6.636 6.403 1.00 4.23 C ATOM 85 C ASP A 7 -8.593 5.560 5.547 1.00 14.14 C ATOM 86 O ASP A 7 -9.186 4.614 6.069 1.00 42.24 O ATOM 87 CB ASP A 7 -8.992 7.377 7.221 1.00 60.10 C ATOM 88 CG ASP A 7 -10.262 7.626 6.432 1.00 13.41 C ATOM 89 OD1 ASP A 7 -10.308 8.623 5.681 1.00 23.11 O ATOM 90 OD2 ASP A 7 -11.212 6.826 6.566 1.00 25.23 O ATOM 0 H ASP A 7 -7.638 8.480 5.449 1.00 11.42 H new ATOM 0 HA ASP A 7 -7.232 6.153 7.084 1.00 4.23 H new ATOM 0 HB2 ASP A 7 -9.229 6.797 8.113 1.00 60.10 H new ATOM 0 HB3 ASP A 7 -8.585 8.330 7.559 1.00 60.10 H new ATOM 95 N LEU A 8 -8.489 5.711 4.232 1.00 41.02 N ATOM 96 CA LEU A 8 -9.077 4.753 3.303 1.00 72.44 C ATOM 97 C LEU A 8 -8.563 3.343 3.577 1.00 74.34 C ATOM 98 O LEU A 8 -9.205 2.355 3.216 1.00 54.31 O ATOM 99 CB LEU A 8 -8.761 5.151 1.860 1.00 55.31 C ATOM 100 CG LEU A 8 -9.764 6.090 1.188 1.00 35.21 C ATOM 101 CD1 LEU A 8 -9.302 6.449 -0.215 1.00 71.25 C ATOM 102 CD2 LEU A 8 -11.147 5.454 1.150 1.00 3.31 C ATOM 0 H LEU A 8 -8.003 6.488 3.785 1.00 41.02 H new ATOM 0 HA LEU A 8 -10.157 4.761 3.447 1.00 72.44 H new ATOM 0 HB2 LEU A 8 -7.780 5.626 1.842 1.00 55.31 H new ATOM 0 HB3 LEU A 8 -8.686 4.243 1.262 1.00 55.31 H new ATOM 0 HG LEU A 8 -9.823 7.007 1.774 1.00 35.21 H new ATOM 0 HD11 LEU A 8 -10.028 7.118 -0.677 1.00 71.25 H new ATOM 0 HD12 LEU A 8 -8.333 6.946 -0.163 1.00 71.25 H new ATOM 0 HD13 LEU A 8 -9.213 5.541 -0.812 1.00 71.25 H new ATOM 0 HD21 LEU A 8 -11.848 6.136 0.669 1.00 3.31 H new ATOM 0 HD22 LEU A 8 -11.103 4.522 0.587 1.00 3.31 H new ATOM 0 HD23 LEU A 8 -11.481 5.249 2.167 1.00 3.31 H new ATOM 114 N LEU A 9 -7.404 3.256 4.218 1.00 25.23 N ATOM 115 CA LEU A 9 -6.804 1.966 4.544 1.00 41.34 C ATOM 116 C LEU A 9 -7.072 1.593 5.998 1.00 65.30 C ATOM 117 O LEU A 9 -7.341 2.445 6.844 1.00 12.41 O ATOM 118 CB LEU A 9 -5.297 2.002 4.283 1.00 1.33 C ATOM 119 CG LEU A 9 -4.585 3.307 4.641 1.00 50.52 C ATOM 120 CD1 LEU A 9 -3.252 3.021 5.314 1.00 0.25 C ATOM 121 CD2 LEU A 9 -4.384 4.163 3.398 1.00 20.14 C ATOM 0 H LEU A 9 -6.860 4.063 4.523 1.00 25.23 H new ATOM 0 HA LEU A 9 -7.259 1.209 3.905 1.00 41.34 H new ATOM 0 HB2 LEU A 9 -4.832 1.192 4.844 1.00 1.33 H new ATOM 0 HB3 LEU A 9 -5.126 1.796 3.226 1.00 1.33 H new ATOM 0 HG LEU A 9 -5.211 3.860 5.342 1.00 50.52 H new ATOM 0 HD11 LEU A 9 -2.760 3.962 5.561 1.00 0.25 H new ATOM 0 HD12 LEU A 9 -3.420 2.449 6.226 1.00 0.25 H new ATOM 0 HD13 LEU A 9 -2.619 2.447 4.638 1.00 0.25 H new ATOM 0 HD21 LEU A 9 -3.876 5.088 3.671 1.00 20.14 H new ATOM 0 HD22 LEU A 9 -3.779 3.617 2.674 1.00 20.14 H new ATOM 0 HD23 LEU A 9 -5.353 4.398 2.957 1.00 20.14 H new ATOM 133 N PRO A 10 -6.994 0.288 6.298 1.00 63.41 N ATOM 134 CA PRO A 10 -7.221 -0.229 7.651 1.00 54.41 C ATOM 135 C PRO A 10 -6.106 0.160 8.615 1.00 64.21 C ATOM 136 O PRO A 10 -4.981 0.459 8.213 1.00 52.53 O ATOM 137 CB PRO A 10 -7.251 -1.746 7.451 1.00 14.02 C ATOM 138 CG PRO A 10 -6.447 -1.982 6.219 1.00 14.14 C ATOM 139 CD PRO A 10 -6.677 -0.784 5.339 1.00 21.44 C ATOM 0 HA PRO A 10 -8.132 0.174 8.094 1.00 54.41 H new ATOM 0 HB2 PRO A 10 -6.824 -2.267 8.308 1.00 14.02 H new ATOM 0 HB3 PRO A 10 -8.272 -2.110 7.333 1.00 14.02 H new ATOM 0 HG2 PRO A 10 -5.389 -2.093 6.458 1.00 14.14 H new ATOM 0 HG3 PRO A 10 -6.759 -2.899 5.719 1.00 14.14 H new ATOM 0 HD2 PRO A 10 -5.794 -0.545 4.747 1.00 21.44 H new ATOM 0 HD3 PRO A 10 -7.495 -0.951 4.638 1.00 21.44 H new ATOM 147 N PRO A 11 -6.421 0.155 9.919 1.00 65.13 N ATOM 148 CA PRO A 11 -5.457 0.503 10.967 1.00 11.41 C ATOM 149 C PRO A 11 -4.367 -0.551 11.126 1.00 2.31 C ATOM 150 O PRO A 11 -3.396 -0.347 11.855 1.00 72.04 O ATOM 151 CB PRO A 11 -6.318 0.577 12.230 1.00 35.54 C ATOM 152 CG PRO A 11 -7.483 -0.308 11.947 1.00 61.44 C ATOM 153 CD PRO A 11 -7.741 -0.192 10.470 1.00 53.12 C ATOM 0 HA PRO A 11 -4.926 1.428 10.741 1.00 11.41 H new ATOM 0 HB2 PRO A 11 -5.766 0.237 13.106 1.00 35.54 H new ATOM 0 HB3 PRO A 11 -6.637 1.599 12.432 1.00 35.54 H new ATOM 0 HG2 PRO A 11 -7.267 -1.339 12.226 1.00 61.44 H new ATOM 0 HG3 PRO A 11 -8.356 0.001 12.521 1.00 61.44 H new ATOM 0 HD2 PRO A 11 -8.117 -1.126 10.053 1.00 53.12 H new ATOM 0 HD3 PRO A 11 -8.482 0.576 10.251 1.00 53.12 H new ATOM 161 N GLU A 12 -4.534 -1.677 10.439 1.00 2.34 N ATOM 162 CA GLU A 12 -3.563 -2.762 10.506 1.00 23.41 C ATOM 163 C GLU A 12 -2.280 -2.391 9.768 1.00 61.13 C ATOM 164 O GLU A 12 -1.182 -2.498 10.314 1.00 21.32 O ATOM 165 CB GLU A 12 -4.154 -4.042 9.912 1.00 70.43 C ATOM 166 CG GLU A 12 -5.507 -4.416 10.495 1.00 45.02 C ATOM 167 CD GLU A 12 -5.854 -5.875 10.274 1.00 21.43 C ATOM 168 OE1 GLU A 12 -5.926 -6.298 9.102 1.00 64.24 O ATOM 169 OE2 GLU A 12 -6.054 -6.595 11.275 1.00 3.15 O ATOM 0 H GLU A 12 -5.332 -1.861 9.831 1.00 2.34 H new ATOM 0 HA GLU A 12 -3.321 -2.934 11.555 1.00 23.41 H new ATOM 0 HB2 GLU A 12 -4.254 -3.920 8.834 1.00 70.43 H new ATOM 0 HB3 GLU A 12 -3.457 -4.864 10.076 1.00 70.43 H new ATOM 0 HG2 GLU A 12 -5.509 -4.204 11.564 1.00 45.02 H new ATOM 0 HG3 GLU A 12 -6.278 -3.791 10.045 1.00 45.02 H new ATOM 176 N LYS A 13 -2.427 -1.954 8.522 1.00 61.45 N ATOM 177 CA LYS A 13 -1.282 -1.566 7.706 1.00 11.03 C ATOM 178 C LYS A 13 -0.969 -0.083 7.879 1.00 20.23 C ATOM 179 O LYS A 13 0.096 0.386 7.481 1.00 44.31 O ATOM 180 CB LYS A 13 -1.553 -1.872 6.232 1.00 63.35 C ATOM 181 CG LYS A 13 -2.693 -1.061 5.641 1.00 31.11 C ATOM 182 CD LYS A 13 -2.182 0.011 4.694 1.00 54.52 C ATOM 183 CE LYS A 13 -1.513 -0.597 3.471 1.00 21.43 C ATOM 184 NZ LYS A 13 -2.309 -0.371 2.233 1.00 65.41 N ATOM 0 H LYS A 13 -3.329 -1.859 8.055 1.00 61.45 H new ATOM 0 HA LYS A 13 -0.419 -2.143 8.038 1.00 11.03 H new ATOM 0 HB2 LYS A 13 -0.647 -1.681 5.658 1.00 63.35 H new ATOM 0 HB3 LYS A 13 -1.780 -2.933 6.126 1.00 63.35 H new ATOM 0 HG2 LYS A 13 -3.374 -1.724 5.108 1.00 31.11 H new ATOM 0 HG3 LYS A 13 -3.264 -0.596 6.444 1.00 31.11 H new ATOM 0 HD2 LYS A 13 -3.011 0.645 4.379 1.00 54.52 H new ATOM 0 HD3 LYS A 13 -1.472 0.652 5.217 1.00 54.52 H new ATOM 0 HE2 LYS A 13 -0.520 -0.165 3.348 1.00 21.43 H new ATOM 0 HE3 LYS A 13 -1.378 -1.668 3.626 1.00 21.43 H new ATOM 0 HZ1 LYS A 13 -1.795 -0.756 1.415 1.00 65.41 H new ATOM 0 HZ2 LYS A 13 -3.229 -0.848 2.320 1.00 65.41 H new ATOM 0 HZ3 LYS A 13 -2.460 0.649 2.099 1.00 65.41 H new ATOM 198 N ALA A 14 -1.904 0.648 8.477 1.00 4.51 N ATOM 199 CA ALA A 14 -1.725 2.077 8.706 1.00 73.11 C ATOM 200 C ALA A 14 -0.501 2.345 9.575 1.00 51.13 C ATOM 201 O ALA A 14 0.095 3.420 9.510 1.00 42.32 O ATOM 202 CB ALA A 14 -2.971 2.668 9.349 1.00 11.01 C ATOM 0 H ALA A 14 -2.792 0.275 8.811 1.00 4.51 H new ATOM 0 HA ALA A 14 -1.564 2.557 7.741 1.00 73.11 H new ATOM 0 HB1 ALA A 14 -2.824 3.735 9.514 1.00 11.01 H new ATOM 0 HB2 ALA A 14 -3.827 2.517 8.691 1.00 11.01 H new ATOM 0 HB3 ALA A 14 -3.157 2.175 10.303 1.00 11.01 H new ATOM 208 N PHE A 15 -0.132 1.361 10.388 1.00 4.42 N ATOM 209 CA PHE A 15 1.021 1.492 11.272 1.00 41.22 C ATOM 210 C PHE A 15 2.085 0.452 10.935 1.00 21.53 C ATOM 211 O PHE A 15 1.773 -0.712 10.679 1.00 2.44 O ATOM 212 CB PHE A 15 0.590 1.344 12.732 1.00 23.34 C ATOM 213 CG PHE A 15 -0.673 2.085 13.063 1.00 12.31 C ATOM 214 CD1 PHE A 15 -0.769 3.450 12.842 1.00 33.23 C ATOM 215 CD2 PHE A 15 -1.765 1.418 13.595 1.00 3.14 C ATOM 216 CE1 PHE A 15 -1.931 4.135 13.145 1.00 2.32 C ATOM 217 CE2 PHE A 15 -2.929 2.098 13.900 1.00 42.12 C ATOM 218 CZ PHE A 15 -3.012 3.459 13.676 1.00 65.44 C ATOM 0 H PHE A 15 -0.614 0.464 10.453 1.00 4.42 H new ATOM 0 HA PHE A 15 1.449 2.484 11.126 1.00 41.22 H new ATOM 0 HB2 PHE A 15 0.450 0.286 12.956 1.00 23.34 H new ATOM 0 HB3 PHE A 15 1.392 1.703 13.377 1.00 23.34 H new ATOM 0 HD1 PHE A 15 0.073 3.984 12.428 1.00 33.23 H new ATOM 0 HD2 PHE A 15 -1.706 0.354 13.773 1.00 3.14 H new ATOM 0 HE1 PHE A 15 -1.993 5.198 12.967 1.00 2.32 H new ATOM 0 HE2 PHE A 15 -3.773 1.566 14.313 1.00 42.12 H new ATOM 0 HZ PHE A 15 -3.920 3.993 13.916 1.00 65.44 H new ATOM 228 N VAL A 16 3.344 0.879 10.937 1.00 72.00 N ATOM 229 CA VAL A 16 4.455 -0.015 10.633 1.00 40.44 C ATOM 230 C VAL A 16 5.479 -0.022 11.762 1.00 63.12 C ATOM 231 O VAL A 16 6.488 0.683 11.724 1.00 54.55 O ATOM 232 CB VAL A 16 5.156 0.388 9.321 1.00 32.33 C ATOM 233 CG1 VAL A 16 6.152 -0.681 8.899 1.00 45.22 C ATOM 234 CG2 VAL A 16 4.131 0.636 8.225 1.00 41.23 C ATOM 0 H VAL A 16 3.620 1.839 11.146 1.00 72.00 H new ATOM 0 HA VAL A 16 4.036 -1.015 10.521 1.00 40.44 H new ATOM 0 HB VAL A 16 5.704 1.315 9.491 1.00 32.33 H new ATOM 0 HG11 VAL A 16 6.638 -0.380 7.971 1.00 45.22 H new ATOM 0 HG12 VAL A 16 6.904 -0.806 9.678 1.00 45.22 H new ATOM 0 HG13 VAL A 16 5.629 -1.625 8.745 1.00 45.22 H new ATOM 0 HG21 VAL A 16 4.643 0.920 7.305 1.00 41.23 H new ATOM 0 HG22 VAL A 16 3.554 -0.273 8.054 1.00 41.23 H new ATOM 0 HG23 VAL A 16 3.460 1.439 8.529 1.00 41.23 H new ATOM 244 N PRO A 17 5.217 -0.839 12.793 1.00 64.12 N ATOM 245 CA PRO A 17 6.105 -0.959 13.953 1.00 64.41 C ATOM 246 C PRO A 17 7.418 -1.655 13.608 1.00 1.45 C ATOM 247 O PRO A 17 7.445 -2.586 12.805 1.00 51.35 O ATOM 248 CB PRO A 17 5.293 -1.807 14.935 1.00 30.10 C ATOM 249 CG PRO A 17 4.361 -2.592 14.077 1.00 4.14 C ATOM 250 CD PRO A 17 4.034 -1.709 12.905 1.00 4.21 C ATOM 0 HA PRO A 17 6.394 0.015 14.347 1.00 64.41 H new ATOM 0 HB2 PRO A 17 5.939 -2.462 15.520 1.00 30.10 H new ATOM 0 HB3 PRO A 17 4.748 -1.181 15.642 1.00 30.10 H new ATOM 0 HG2 PRO A 17 4.824 -3.522 13.748 1.00 4.14 H new ATOM 0 HG3 PRO A 17 3.459 -2.862 14.626 1.00 4.14 H new ATOM 0 HD2 PRO A 17 3.875 -2.290 11.996 1.00 4.21 H new ATOM 0 HD3 PRO A 17 3.126 -1.132 13.078 1.00 4.21 H new ATOM 258 N GLU A 18 8.504 -1.196 14.223 1.00 63.14 N ATOM 259 CA GLU A 18 9.820 -1.775 13.979 1.00 23.15 C ATOM 260 C GLU A 18 10.648 -1.802 15.261 1.00 2.11 C ATOM 261 O GLU A 18 10.800 -0.783 15.937 1.00 22.40 O ATOM 262 CB GLU A 18 10.559 -0.983 12.899 1.00 51.23 C ATOM 263 CG GLU A 18 11.634 -1.784 12.185 1.00 44.04 C ATOM 264 CD GLU A 18 11.414 -1.850 10.686 1.00 44.33 C ATOM 265 OE1 GLU A 18 11.428 -0.783 10.036 1.00 21.41 O ATOM 266 OE2 GLU A 18 11.229 -2.968 10.163 1.00 73.55 O ATOM 0 H GLU A 18 8.498 -0.426 14.892 1.00 63.14 H new ATOM 0 HA GLU A 18 9.679 -2.800 13.635 1.00 23.15 H new ATOM 0 HB2 GLU A 18 9.837 -0.625 12.165 1.00 51.23 H new ATOM 0 HB3 GLU A 18 11.015 -0.103 13.353 1.00 51.23 H new ATOM 0 HG2 GLU A 18 12.608 -1.338 12.386 1.00 44.04 H new ATOM 0 HG3 GLU A 18 11.657 -2.796 12.590 1.00 44.04 H new ATOM 273 N LEU A 19 11.181 -2.974 15.590 1.00 52.33 N ATOM 274 CA LEU A 19 11.993 -3.135 16.791 1.00 42.14 C ATOM 275 C LEU A 19 13.474 -3.229 16.438 1.00 42.44 C ATOM 276 O LEU A 19 13.843 -3.797 15.410 1.00 12.32 O ATOM 277 CB LEU A 19 11.560 -4.385 17.559 1.00 44.20 C ATOM 278 CG LEU A 19 11.557 -4.268 19.084 1.00 51.24 C ATOM 279 CD1 LEU A 19 12.973 -4.088 19.608 1.00 31.34 C ATOM 280 CD2 LEU A 19 10.671 -3.113 19.528 1.00 41.02 C ATOM 0 H LEU A 19 11.065 -3.826 15.042 1.00 52.33 H new ATOM 0 HA LEU A 19 11.843 -2.258 17.421 1.00 42.14 H new ATOM 0 HB2 LEU A 19 10.556 -4.658 17.233 1.00 44.20 H new ATOM 0 HB3 LEU A 19 12.220 -5.206 17.279 1.00 44.20 H new ATOM 0 HG LEU A 19 11.152 -5.191 19.500 1.00 51.24 H new ATOM 0 HD11 LEU A 19 12.951 -4.007 20.695 1.00 31.34 H new ATOM 0 HD12 LEU A 19 13.579 -4.947 19.321 1.00 31.34 H new ATOM 0 HD13 LEU A 19 13.405 -3.181 19.185 1.00 31.34 H new ATOM 0 HD21 LEU A 19 10.681 -3.044 20.616 1.00 41.02 H new ATOM 0 HD22 LEU A 19 11.046 -2.182 19.102 1.00 41.02 H new ATOM 0 HD23 LEU A 19 9.651 -3.284 19.184 1.00 41.02 H new ATOM 292 N ALA A 20 14.319 -2.669 17.298 1.00 53.13 N ATOM 293 CA ALA A 20 15.760 -2.693 17.079 1.00 74.01 C ATOM 294 C ALA A 20 16.514 -2.789 18.401 1.00 60.23 C ATOM 295 O ALA A 20 16.609 -1.814 19.146 1.00 55.34 O ATOM 296 CB ALA A 20 16.197 -1.456 16.308 1.00 22.31 C ATOM 0 H ALA A 20 14.030 -2.193 18.153 1.00 53.13 H new ATOM 0 HA ALA A 20 15.999 -3.578 16.489 1.00 74.01 H new ATOM 0 HB1 ALA A 20 17.275 -1.487 16.151 1.00 22.31 H new ATOM 0 HB2 ALA A 20 15.691 -1.431 15.343 1.00 22.31 H new ATOM 0 HB3 ALA A 20 15.938 -0.563 16.877 1.00 22.31 H new ATOM 302 N VAL A 21 17.049 -3.972 18.686 1.00 5.15 N ATOM 303 CA VAL A 21 17.796 -4.195 19.919 1.00 62.44 C ATOM 304 C VAL A 21 19.201 -3.611 19.824 1.00 50.24 C ATOM 305 O VAL A 21 19.874 -3.749 18.803 1.00 61.12 O ATOM 306 CB VAL A 21 17.898 -5.696 20.249 1.00 71.41 C ATOM 307 CG1 VAL A 21 18.844 -5.923 21.418 1.00 63.11 C ATOM 308 CG2 VAL A 21 16.521 -6.270 20.548 1.00 62.22 C ATOM 0 H VAL A 21 16.979 -4.790 18.081 1.00 5.15 H new ATOM 0 HA VAL A 21 17.249 -3.691 20.716 1.00 62.44 H new ATOM 0 HB VAL A 21 18.302 -6.215 19.380 1.00 71.41 H new ATOM 0 HG11 VAL A 21 18.903 -6.989 21.636 1.00 63.11 H new ATOM 0 HG12 VAL A 21 19.835 -5.550 21.162 1.00 63.11 H new ATOM 0 HG13 VAL A 21 18.472 -5.393 22.295 1.00 63.11 H new ATOM 0 HG21 VAL A 21 16.612 -7.331 20.779 1.00 62.22 H new ATOM 0 HG22 VAL A 21 16.087 -5.749 21.401 1.00 62.22 H new ATOM 0 HG23 VAL A 21 15.877 -6.142 19.678 1.00 62.22 H new ATOM 318 N ALA A 22 19.638 -2.957 20.895 1.00 34.22 N ATOM 319 CA ALA A 22 20.964 -2.353 20.934 1.00 72.40 C ATOM 320 C ALA A 22 21.776 -2.888 22.108 1.00 23.14 C ATOM 321 O ALA A 22 21.322 -3.767 22.841 1.00 13.11 O ATOM 322 CB ALA A 22 20.852 -0.838 21.014 1.00 73.14 C ATOM 0 H ALA A 22 19.093 -2.832 21.748 1.00 34.22 H new ATOM 0 HA ALA A 22 21.485 -2.619 20.014 1.00 72.40 H new ATOM 0 HB1 ALA A 22 21.850 -0.400 21.042 1.00 73.14 H new ATOM 0 HB2 ALA A 22 20.317 -0.466 20.140 1.00 73.14 H new ATOM 0 HB3 ALA A 22 20.308 -0.561 21.917 1.00 73.14 H new ATOM 328 N ASP A 23 22.980 -2.353 22.281 1.00 31.22 N ATOM 329 CA ASP A 23 23.856 -2.777 23.367 1.00 10.34 C ATOM 330 C ASP A 23 23.622 -1.931 24.615 1.00 5.41 C ATOM 331 O ASP A 23 23.940 -2.348 25.729 1.00 60.32 O ATOM 332 CB ASP A 23 25.321 -2.680 22.937 1.00 15.12 C ATOM 333 CG ASP A 23 26.173 -3.782 23.534 1.00 63.11 C ATOM 334 OD1 ASP A 23 26.107 -4.922 23.029 1.00 64.04 O ATOM 335 OD2 ASP A 23 26.906 -3.505 24.507 1.00 60.12 O ATOM 0 H ASP A 23 23.371 -1.625 21.683 1.00 31.22 H new ATOM 0 HA ASP A 23 23.623 -3.815 23.604 1.00 10.34 H new ATOM 0 HB2 ASP A 23 25.381 -2.727 21.850 1.00 15.12 H new ATOM 0 HB3 ASP A 23 25.722 -1.712 23.237 1.00 15.12 H new ATOM 340 N ASP A 24 23.067 -0.740 24.421 1.00 51.35 N ATOM 341 CA ASP A 24 22.791 0.166 25.530 1.00 72.41 C ATOM 342 C ASP A 24 21.290 0.384 25.693 1.00 72.52 C ATOM 343 O ASP A 24 20.857 1.323 26.360 1.00 63.44 O ATOM 344 CB ASP A 24 23.492 1.507 25.309 1.00 63.44 C ATOM 345 CG ASP A 24 24.793 1.614 26.081 1.00 54.14 C ATOM 346 OD1 ASP A 24 24.757 2.070 27.243 1.00 30.41 O ATOM 347 OD2 ASP A 24 25.846 1.242 25.523 1.00 72.03 O ATOM 0 H ASP A 24 22.799 -0.379 23.505 1.00 51.35 H new ATOM 0 HA ASP A 24 23.175 -0.290 26.442 1.00 72.41 H new ATOM 0 HB2 ASP A 24 23.692 1.638 24.246 1.00 63.44 H new ATOM 0 HB3 ASP A 24 22.826 2.316 25.610 1.00 63.44 H new ATOM 352 N GLY A 25 20.500 -0.491 25.077 1.00 35.15 N ATOM 353 CA GLY A 25 19.056 -0.376 25.166 1.00 75.15 C ATOM 354 C GLY A 25 18.357 -0.872 23.915 1.00 41.32 C ATOM 355 O GLY A 25 18.965 -1.540 23.079 1.00 63.12 O ATOM 0 H GLY A 25 20.834 -1.276 24.519 1.00 35.15 H new ATOM 0 HA2 GLY A 25 18.702 -0.944 26.026 1.00 75.15 H new ATOM 0 HA3 GLY A 25 18.788 0.666 25.340 1.00 75.15 H new ATOM 359 N VAL A 26 17.075 -0.545 23.786 1.00 60.11 N ATOM 360 CA VAL A 26 16.293 -0.962 22.628 1.00 14.14 C ATOM 361 C VAL A 26 15.580 0.225 21.990 1.00 11.35 C ATOM 362 O VAL A 26 15.081 1.109 22.686 1.00 43.45 O ATOM 363 CB VAL A 26 15.249 -2.028 23.011 1.00 71.12 C ATOM 364 CG1 VAL A 26 14.240 -2.215 21.888 1.00 51.30 C ATOM 365 CG2 VAL A 26 15.932 -3.345 23.349 1.00 1.50 C ATOM 0 H VAL A 26 16.556 0.007 24.469 1.00 60.11 H new ATOM 0 HA VAL A 26 16.993 -1.390 21.911 1.00 14.14 H new ATOM 0 HB VAL A 26 14.713 -1.685 23.896 1.00 71.12 H new ATOM 0 HG11 VAL A 26 13.511 -2.972 22.177 1.00 51.30 H new ATOM 0 HG12 VAL A 26 13.728 -1.272 21.698 1.00 51.30 H new ATOM 0 HG13 VAL A 26 14.757 -2.536 20.984 1.00 51.30 H new ATOM 0 HG21 VAL A 26 15.180 -4.087 23.617 1.00 1.50 H new ATOM 0 HG22 VAL A 26 16.495 -3.696 22.484 1.00 1.50 H new ATOM 0 HG23 VAL A 26 16.612 -3.198 24.188 1.00 1.50 H new ATOM 375 N ASN A 27 15.536 0.238 20.662 1.00 34.22 N ATOM 376 CA ASN A 27 14.884 1.317 19.929 1.00 14.13 C ATOM 377 C ASN A 27 13.724 0.784 19.093 1.00 2.01 C ATOM 378 O ASN A 27 13.893 -0.137 18.294 1.00 50.12 O ATOM 379 CB ASN A 27 15.892 2.031 19.027 1.00 62.21 C ATOM 380 CG ASN A 27 16.545 3.215 19.713 1.00 25.22 C ATOM 381 OD1 ASN A 27 15.984 3.796 20.642 1.00 75.13 O ATOM 382 ND2 ASN A 27 17.739 3.578 19.258 1.00 53.15 N ATOM 0 H ASN A 27 15.944 -0.487 20.071 1.00 34.22 H new ATOM 0 HA ASN A 27 14.489 2.028 20.654 1.00 14.13 H new ATOM 0 HB2 ASN A 27 16.662 1.324 18.717 1.00 62.21 H new ATOM 0 HB3 ASN A 27 15.388 2.371 18.122 1.00 62.21 H new ATOM 0 HD21 ASN A 27 18.228 4.367 19.681 1.00 53.15 H new ATOM 0 HD22 ASN A 27 18.167 3.068 18.485 1.00 53.15 H new ATOM 389 N VAL A 28 12.546 1.370 19.283 1.00 42.12 N ATOM 390 CA VAL A 28 11.359 0.956 18.545 1.00 33.14 C ATOM 391 C VAL A 28 10.711 2.140 17.837 1.00 15.34 C ATOM 392 O VAL A 28 10.401 3.156 18.461 1.00 63.21 O ATOM 393 CB VAL A 28 10.322 0.297 19.475 1.00 51.50 C ATOM 394 CG1 VAL A 28 9.830 1.292 20.515 1.00 32.04 C ATOM 395 CG2 VAL A 28 9.160 -0.260 18.667 1.00 41.24 C ATOM 0 H VAL A 28 12.389 2.133 19.942 1.00 42.12 H new ATOM 0 HA VAL A 28 11.686 0.228 17.803 1.00 33.14 H new ATOM 0 HB VAL A 28 10.802 -0.531 19.997 1.00 51.50 H new ATOM 0 HG11 VAL A 28 9.098 0.809 21.163 1.00 32.04 H new ATOM 0 HG12 VAL A 28 10.672 1.639 21.114 1.00 32.04 H new ATOM 0 HG13 VAL A 28 9.366 2.142 20.015 1.00 32.04 H new ATOM 0 HG21 VAL A 28 8.437 -0.722 19.340 1.00 41.24 H new ATOM 0 HG22 VAL A 28 8.679 0.549 18.117 1.00 41.24 H new ATOM 0 HG23 VAL A 28 9.530 -1.007 17.964 1.00 41.24 H new ATOM 405 N ARG A 29 10.507 2.003 16.531 1.00 21.23 N ATOM 406 CA ARG A 29 9.896 3.062 15.738 1.00 52.04 C ATOM 407 C ARG A 29 8.726 2.522 14.920 1.00 41.43 C ATOM 408 O ARG A 29 8.829 1.470 14.288 1.00 4.44 O ATOM 409 CB ARG A 29 10.933 3.695 14.808 1.00 12.21 C ATOM 410 CG ARG A 29 10.377 4.822 13.953 1.00 11.43 C ATOM 411 CD ARG A 29 10.001 4.334 12.563 1.00 34.23 C ATOM 412 NE ARG A 29 11.176 4.005 11.762 1.00 44.33 N ATOM 413 CZ ARG A 29 12.014 4.916 11.278 1.00 71.20 C ATOM 414 NH1 ARG A 29 11.806 6.204 11.514 1.00 63.12 N ATOM 415 NH2 ARG A 29 13.062 4.538 10.557 1.00 1.51 N ATOM 0 H ARG A 29 10.756 1.169 16.000 1.00 21.23 H new ATOM 0 HA ARG A 29 9.519 3.822 16.422 1.00 52.04 H new ATOM 0 HB2 ARG A 29 11.759 4.078 15.407 1.00 12.21 H new ATOM 0 HB3 ARG A 29 11.343 2.924 14.156 1.00 12.21 H new ATOM 0 HG2 ARG A 29 9.500 5.250 14.439 1.00 11.43 H new ATOM 0 HG3 ARG A 29 11.117 5.618 13.872 1.00 11.43 H new ATOM 0 HD2 ARG A 29 9.363 3.455 12.648 1.00 34.23 H new ATOM 0 HD3 ARG A 29 9.419 5.102 12.054 1.00 34.23 H new ATOM 0 HE ARG A 29 11.364 3.022 11.563 1.00 44.33 H new ATOM 0 HH11 ARG A 29 11.001 6.498 12.068 1.00 63.12 H new ATOM 0 HH12 ARG A 29 12.451 6.901 11.142 1.00 63.12 H new ATOM 0 HH21 ARG A 29 13.225 3.548 10.374 1.00 1.51 H new ATOM 0 HH22 ARG A 29 13.705 5.238 10.186 1.00 1.51 H new ATOM 429 N PHE A 30 7.614 3.250 14.936 1.00 30.42 N ATOM 430 CA PHE A 30 6.424 2.843 14.198 1.00 40.54 C ATOM 431 C PHE A 30 5.964 3.952 13.256 1.00 53.32 C ATOM 432 O PHE A 30 5.701 5.076 13.684 1.00 3.24 O ATOM 433 CB PHE A 30 5.296 2.480 15.166 1.00 42.23 C ATOM 434 CG PHE A 30 5.594 2.838 16.594 1.00 74.02 C ATOM 435 CD1 PHE A 30 6.406 2.027 17.370 1.00 44.50 C ATOM 436 CD2 PHE A 30 5.061 3.985 17.160 1.00 70.11 C ATOM 437 CE1 PHE A 30 6.681 2.354 18.685 1.00 51.05 C ATOM 438 CE2 PHE A 30 5.332 4.317 18.474 1.00 23.20 C ATOM 439 CZ PHE A 30 6.144 3.501 19.237 1.00 63.31 C ATOM 0 H PHE A 30 7.512 4.124 15.452 1.00 30.42 H new ATOM 0 HA PHE A 30 6.678 1.966 13.603 1.00 40.54 H new ATOM 0 HB2 PHE A 30 4.383 2.988 14.855 1.00 42.23 H new ATOM 0 HB3 PHE A 30 5.102 1.409 15.101 1.00 42.23 H new ATOM 0 HD1 PHE A 30 6.829 1.130 16.943 1.00 44.50 H new ATOM 0 HD2 PHE A 30 4.426 4.627 16.567 1.00 70.11 H new ATOM 0 HE1 PHE A 30 7.315 1.713 19.280 1.00 51.05 H new ATOM 0 HE2 PHE A 30 4.909 5.213 18.903 1.00 23.20 H new ATOM 0 HZ PHE A 30 6.359 3.759 20.263 1.00 63.31 H new ATOM 449 N ARG A 31 5.869 3.627 11.971 1.00 52.34 N ATOM 450 CA ARG A 31 5.442 4.595 10.967 1.00 3.33 C ATOM 451 C ARG A 31 3.922 4.604 10.832 1.00 65.14 C ATOM 452 O ARG A 31 3.318 3.601 10.451 1.00 70.12 O ATOM 453 CB ARG A 31 6.084 4.277 9.616 1.00 50.04 C ATOM 454 CG ARG A 31 7.567 3.955 9.706 1.00 74.11 C ATOM 455 CD ARG A 31 8.376 4.770 8.710 1.00 54.55 C ATOM 456 NE ARG A 31 7.823 4.691 7.360 1.00 20.51 N ATOM 457 CZ ARG A 31 7.999 3.649 6.554 1.00 12.15 C ATOM 458 NH1 ARG A 31 8.708 2.605 6.960 1.00 1.04 N ATOM 459 NH2 ARG A 31 7.464 3.650 5.340 1.00 1.40 N ATOM 0 H ARG A 31 6.082 2.701 11.600 1.00 52.34 H new ATOM 0 HA ARG A 31 5.766 5.584 11.291 1.00 3.33 H new ATOM 0 HB2 ARG A 31 5.564 3.431 9.167 1.00 50.04 H new ATOM 0 HB3 ARG A 31 5.946 5.128 8.948 1.00 50.04 H new ATOM 0 HG2 ARG A 31 7.923 4.156 10.716 1.00 74.11 H new ATOM 0 HG3 ARG A 31 7.722 2.892 9.519 1.00 74.11 H new ATOM 0 HD2 ARG A 31 8.402 5.811 9.030 1.00 54.55 H new ATOM 0 HD3 ARG A 31 9.406 4.413 8.701 1.00 54.55 H new ATOM 0 HE ARG A 31 7.272 5.478 7.018 1.00 20.51 H new ATOM 0 HH11 ARG A 31 9.120 2.600 7.893 1.00 1.04 H new ATOM 0 HH12 ARG A 31 8.841 1.807 6.339 1.00 1.04 H new ATOM 0 HH21 ARG A 31 6.917 4.451 5.024 1.00 1.40 H new ATOM 0 HH22 ARG A 31 7.600 2.850 4.722 1.00 1.40 H new ATOM 473 N ILE A 32 3.312 5.741 11.146 1.00 40.41 N ATOM 474 CA ILE A 32 1.864 5.880 11.058 1.00 13.04 C ATOM 475 C ILE A 32 1.453 6.540 9.747 1.00 72.05 C ATOM 476 O ILE A 32 2.163 7.398 9.222 1.00 32.35 O ATOM 477 CB ILE A 32 1.305 6.706 12.232 1.00 22.34 C ATOM 478 CG1 ILE A 32 1.549 5.979 13.557 1.00 51.32 C ATOM 479 CG2 ILE A 32 -0.179 6.972 12.034 1.00 54.35 C ATOM 480 CD1 ILE A 32 2.056 6.884 14.658 1.00 54.20 C ATOM 0 H ILE A 32 3.798 6.580 11.464 1.00 40.41 H new ATOM 0 HA ILE A 32 1.448 4.873 11.101 1.00 13.04 H new ATOM 0 HB ILE A 32 1.825 7.664 12.263 1.00 22.34 H new ATOM 0 HG12 ILE A 32 0.620 5.511 13.882 1.00 51.32 H new ATOM 0 HG13 ILE A 32 2.270 5.178 13.395 1.00 51.32 H new ATOM 0 HG21 ILE A 32 -0.559 7.557 12.872 1.00 54.35 H new ATOM 0 HG22 ILE A 32 -0.329 7.526 11.107 1.00 54.35 H new ATOM 0 HG23 ILE A 32 -0.715 6.024 11.981 1.00 54.35 H new ATOM 0 HD11 ILE A 32 2.207 6.302 15.567 1.00 54.20 H new ATOM 0 HD12 ILE A 32 3.002 7.333 14.354 1.00 54.20 H new ATOM 0 HD13 ILE A 32 1.326 7.671 14.848 1.00 54.20 H new ATOM 492 N ALA A 33 0.301 6.135 9.222 1.00 32.11 N ATOM 493 CA ALA A 33 -0.207 6.690 7.973 1.00 30.55 C ATOM 494 C ALA A 33 -0.514 8.176 8.118 1.00 55.10 C ATOM 495 O ALA A 33 -0.920 8.635 9.186 1.00 75.21 O ATOM 496 CB ALA A 33 -1.449 5.933 7.526 1.00 20.23 C ATOM 0 H ALA A 33 -0.298 5.425 9.642 1.00 32.11 H new ATOM 0 HA ALA A 33 0.566 6.578 7.213 1.00 30.55 H new ATOM 0 HB1 ALA A 33 -1.818 6.358 6.592 1.00 20.23 H new ATOM 0 HB2 ALA A 33 -1.200 4.883 7.373 1.00 20.23 H new ATOM 0 HB3 ALA A 33 -2.220 6.015 8.292 1.00 20.23 H new ATOM 502 N ASP A 34 -0.318 8.924 7.038 1.00 62.23 N ATOM 503 CA ASP A 34 -0.575 10.359 7.044 1.00 4.32 C ATOM 504 C ASP A 34 -2.040 10.648 7.353 1.00 33.22 C ATOM 505 O ASP A 34 -2.399 11.764 7.727 1.00 64.15 O ATOM 506 CB ASP A 34 -0.194 10.973 5.696 1.00 53.20 C ATOM 507 CG ASP A 34 0.387 12.366 5.837 1.00 10.24 C ATOM 508 OD1 ASP A 34 -0.169 13.165 6.621 1.00 25.51 O ATOM 509 OD2 ASP A 34 1.398 12.658 5.165 1.00 32.10 O ATOM 0 H ASP A 34 0.018 8.560 6.147 1.00 62.23 H new ATOM 0 HA ASP A 34 0.038 10.809 7.825 1.00 4.32 H new ATOM 0 HB2 ASP A 34 0.531 10.329 5.199 1.00 53.20 H new ATOM 0 HB3 ASP A 34 -1.076 11.013 5.056 1.00 53.20 H new ATOM 514 N GLY A 35 -2.885 9.633 7.194 1.00 64.13 N ATOM 515 CA GLY A 35 -4.302 9.798 7.459 1.00 42.34 C ATOM 516 C GLY A 35 -4.677 9.403 8.873 1.00 73.21 C ATOM 517 O GLY A 35 -5.849 9.451 9.248 1.00 20.10 O ATOM 0 H GLY A 35 -2.613 8.699 6.886 1.00 64.13 H new ATOM 0 HA2 GLY A 35 -4.582 10.838 7.289 1.00 42.34 H new ATOM 0 HA3 GLY A 35 -4.873 9.195 6.753 1.00 42.34 H new ATOM 521 N TYR A 36 -3.682 9.009 9.659 1.00 2.33 N ATOM 522 CA TYR A 36 -3.914 8.600 11.039 1.00 30.43 C ATOM 523 C TYR A 36 -2.975 9.334 11.991 1.00 24.20 C ATOM 524 O TYR A 36 -1.947 9.870 11.576 1.00 2.12 O ATOM 525 CB TYR A 36 -3.725 7.089 11.183 1.00 33.54 C ATOM 526 CG TYR A 36 -4.831 6.277 10.547 1.00 31.25 C ATOM 527 CD1 TYR A 36 -6.109 6.260 11.093 1.00 10.20 C ATOM 528 CD2 TYR A 36 -4.598 5.526 9.402 1.00 32.21 C ATOM 529 CE1 TYR A 36 -7.122 5.520 10.516 1.00 74.40 C ATOM 530 CE2 TYR A 36 -5.606 4.783 8.817 1.00 2.45 C ATOM 531 CZ TYR A 36 -6.866 4.783 9.378 1.00 11.32 C ATOM 532 OH TYR A 36 -7.872 4.044 8.800 1.00 72.04 O ATOM 0 H TYR A 36 -2.707 8.964 9.364 1.00 2.33 H new ATOM 0 HA TYR A 36 -4.940 8.858 11.300 1.00 30.43 H new ATOM 0 HB2 TYR A 36 -2.773 6.806 10.733 1.00 33.54 H new ATOM 0 HB3 TYR A 36 -3.664 6.838 12.242 1.00 33.54 H new ATOM 0 HD1 TYR A 36 -6.313 6.835 11.984 1.00 10.20 H new ATOM 0 HD2 TYR A 36 -3.612 5.523 8.961 1.00 32.21 H new ATOM 0 HE1 TYR A 36 -8.110 5.518 10.953 1.00 74.40 H new ATOM 0 HE2 TYR A 36 -5.408 4.206 7.926 1.00 2.45 H new ATOM 0 HH TYR A 36 -7.563 3.685 7.942 1.00 72.04 H new ATOM 542 N TYR A 37 -3.335 9.353 13.269 1.00 22.24 N ATOM 543 CA TYR A 37 -2.526 10.022 14.281 1.00 13.25 C ATOM 544 C TYR A 37 -2.783 9.429 15.664 1.00 42.15 C ATOM 545 O TYR A 37 -3.928 9.198 16.049 1.00 14.42 O ATOM 546 CB TYR A 37 -2.827 11.522 14.294 1.00 25.02 C ATOM 547 CG TYR A 37 -4.270 11.848 14.606 1.00 42.04 C ATOM 548 CD1 TYR A 37 -5.235 11.839 13.607 1.00 55.15 C ATOM 549 CD2 TYR A 37 -4.668 12.166 15.898 1.00 24.02 C ATOM 550 CE1 TYR A 37 -6.555 12.137 13.886 1.00 32.00 C ATOM 551 CE2 TYR A 37 -5.985 12.464 16.187 1.00 32.32 C ATOM 552 CZ TYR A 37 -6.925 12.448 15.178 1.00 52.11 C ATOM 553 OH TYR A 37 -8.238 12.746 15.461 1.00 34.54 O ATOM 0 H TYR A 37 -4.182 8.913 13.629 1.00 22.24 H new ATOM 0 HA TYR A 37 -1.476 9.870 14.029 1.00 13.25 H new ATOM 0 HB2 TYR A 37 -2.186 12.006 15.031 1.00 25.02 H new ATOM 0 HB3 TYR A 37 -2.570 11.944 13.322 1.00 25.02 H new ATOM 0 HD1 TYR A 37 -4.949 11.595 12.595 1.00 55.15 H new ATOM 0 HD2 TYR A 37 -3.935 12.180 16.691 1.00 24.02 H new ATOM 0 HE1 TYR A 37 -7.293 12.127 13.097 1.00 32.00 H new ATOM 0 HE2 TYR A 37 -6.277 12.708 17.198 1.00 32.32 H new ATOM 0 HH TYR A 37 -8.330 12.941 16.417 1.00 34.54 H new ATOM 563 N MET A 38 -1.707 9.185 16.405 1.00 42.45 N ATOM 564 CA MET A 38 -1.814 8.621 17.745 1.00 73.01 C ATOM 565 C MET A 38 -1.311 9.609 18.793 1.00 64.54 C ATOM 566 O MET A 38 -0.397 10.392 18.532 1.00 14.34 O ATOM 567 CB MET A 38 -1.023 7.315 17.836 1.00 31.23 C ATOM 568 CG MET A 38 -1.384 6.309 16.755 1.00 21.23 C ATOM 569 SD MET A 38 -1.024 4.610 17.240 1.00 72.33 S ATOM 570 CE MET A 38 0.403 4.260 16.215 1.00 12.41 C ATOM 0 H MET A 38 -0.751 9.369 16.100 1.00 42.45 H new ATOM 0 HA MET A 38 -2.866 8.414 17.942 1.00 73.01 H new ATOM 0 HB2 MET A 38 0.042 7.539 17.771 1.00 31.23 H new ATOM 0 HB3 MET A 38 -1.194 6.863 18.813 1.00 31.23 H new ATOM 0 HG2 MET A 38 -2.445 6.399 16.520 1.00 21.23 H new ATOM 0 HG3 MET A 38 -0.834 6.547 15.844 1.00 21.23 H new ATOM 0 HE1 MET A 38 0.571 3.184 16.181 1.00 12.41 H new ATOM 0 HE2 MET A 38 0.226 4.632 15.206 1.00 12.41 H new ATOM 0 HE3 MET A 38 1.281 4.751 16.634 1.00 12.41 H new ATOM 580 N TYR A 39 -1.911 9.566 19.977 1.00 73.54 N ATOM 581 CA TYR A 39 -1.525 10.459 21.062 1.00 31.45 C ATOM 582 C TYR A 39 -0.263 9.957 21.757 1.00 2.33 C ATOM 583 O TYR A 39 -0.180 8.795 22.153 1.00 63.11 O ATOM 584 CB TYR A 39 -2.663 10.584 22.077 1.00 52.33 C ATOM 585 CG TYR A 39 -4.026 10.741 21.441 1.00 32.41 C ATOM 586 CD1 TYR A 39 -4.452 11.972 20.959 1.00 51.24 C ATOM 587 CD2 TYR A 39 -4.888 9.658 21.324 1.00 74.42 C ATOM 588 CE1 TYR A 39 -5.697 12.120 20.378 1.00 42.13 C ATOM 589 CE2 TYR A 39 -6.134 9.796 20.743 1.00 31.21 C ATOM 590 CZ TYR A 39 -6.534 11.029 20.272 1.00 61.02 C ATOM 591 OH TYR A 39 -7.775 11.171 19.694 1.00 44.11 O ATOM 0 H TYR A 39 -2.667 8.922 20.210 1.00 73.54 H new ATOM 0 HA TYR A 39 -1.318 11.440 20.635 1.00 31.45 H new ATOM 0 HB2 TYR A 39 -2.668 9.700 22.715 1.00 52.33 H new ATOM 0 HB3 TYR A 39 -2.471 11.442 22.722 1.00 52.33 H new ATOM 0 HD1 TYR A 39 -3.799 12.828 21.040 1.00 51.24 H new ATOM 0 HD2 TYR A 39 -4.579 8.691 21.694 1.00 74.42 H new ATOM 0 HE1 TYR A 39 -6.013 13.085 20.009 1.00 42.13 H new ATOM 0 HE2 TYR A 39 -6.791 8.943 20.658 1.00 31.21 H new ATOM 0 HH TYR A 39 -8.238 10.307 19.697 1.00 44.11 H new ATOM 601 N GLN A 40 0.717 10.844 21.902 1.00 32.20 N ATOM 602 CA GLN A 40 1.975 10.492 22.549 1.00 64.01 C ATOM 603 C GLN A 40 1.726 9.823 23.897 1.00 63.24 C ATOM 604 O GLN A 40 2.396 8.854 24.253 1.00 62.25 O ATOM 605 CB GLN A 40 2.842 11.738 22.737 1.00 1.24 C ATOM 606 CG GLN A 40 4.334 11.445 22.757 1.00 35.30 C ATOM 607 CD GLN A 40 5.174 12.672 22.464 1.00 73.04 C ATOM 608 OE1 GLN A 40 5.964 13.111 23.299 1.00 4.50 O ATOM 609 NE2 GLN A 40 5.007 13.233 21.272 1.00 71.24 N ATOM 0 H GLN A 40 0.664 11.810 21.580 1.00 32.20 H new ATOM 0 HA GLN A 40 2.500 9.786 21.906 1.00 64.01 H new ATOM 0 HB2 GLN A 40 2.630 12.443 21.933 1.00 1.24 H new ATOM 0 HB3 GLN A 40 2.564 12.226 23.671 1.00 1.24 H new ATOM 0 HG2 GLN A 40 4.609 11.046 23.733 1.00 35.30 H new ATOM 0 HG3 GLN A 40 4.558 10.672 22.022 1.00 35.30 H new ATOM 0 HE21 GLN A 40 4.341 12.835 20.610 1.00 71.24 H new ATOM 0 HE22 GLN A 40 5.545 14.062 21.018 1.00 71.24 H new ATOM 618 N ALA A 41 0.759 10.347 24.642 1.00 31.21 N ATOM 619 CA ALA A 41 0.421 9.799 25.950 1.00 54.12 C ATOM 620 C ALA A 41 -0.165 8.397 25.823 1.00 54.01 C ATOM 621 O ALA A 41 -0.016 7.567 26.720 1.00 61.45 O ATOM 622 CB ALA A 41 -0.555 10.718 26.670 1.00 31.24 C ATOM 0 H ALA A 41 0.196 11.150 24.363 1.00 31.21 H new ATOM 0 HA ALA A 41 1.338 9.729 26.536 1.00 54.12 H new ATOM 0 HB1 ALA A 41 -0.799 10.297 27.645 1.00 31.24 H new ATOM 0 HB2 ALA A 41 -0.100 11.700 26.802 1.00 31.24 H new ATOM 0 HB3 ALA A 41 -1.466 10.816 26.079 1.00 31.24 H new ATOM 628 N LYS A 42 -0.834 8.139 24.704 1.00 41.32 N ATOM 629 CA LYS A 42 -1.443 6.837 24.458 1.00 3.43 C ATOM 630 C LYS A 42 -0.384 5.802 24.093 1.00 60.11 C ATOM 631 O LYS A 42 -0.553 4.610 24.352 1.00 71.01 O ATOM 632 CB LYS A 42 -2.480 6.940 23.337 1.00 24.44 C ATOM 633 CG LYS A 42 -3.898 7.147 23.838 1.00 14.24 C ATOM 634 CD LYS A 42 -4.032 8.449 24.610 1.00 13.31 C ATOM 635 CE LYS A 42 -4.308 8.198 26.084 1.00 34.45 C ATOM 636 NZ LYS A 42 -5.762 8.275 26.398 1.00 73.34 N ATOM 0 H LYS A 42 -0.968 8.815 23.952 1.00 41.32 H new ATOM 0 HA LYS A 42 -1.939 6.516 25.374 1.00 3.43 H new ATOM 0 HB2 LYS A 42 -2.211 7.767 22.680 1.00 24.44 H new ATOM 0 HB3 LYS A 42 -2.445 6.031 22.736 1.00 24.44 H new ATOM 0 HG2 LYS A 42 -4.586 7.151 22.993 1.00 14.24 H new ATOM 0 HG3 LYS A 42 -4.184 6.312 24.478 1.00 14.24 H new ATOM 0 HD2 LYS A 42 -3.117 9.031 24.504 1.00 13.31 H new ATOM 0 HD3 LYS A 42 -4.840 9.044 24.184 1.00 13.31 H new ATOM 0 HE2 LYS A 42 -3.928 7.215 26.362 1.00 34.45 H new ATOM 0 HE3 LYS A 42 -3.768 8.930 26.684 1.00 34.45 H new ATOM 0 HZ1 LYS A 42 -5.908 8.098 27.412 1.00 73.34 H new ATOM 0 HZ2 LYS A 42 -6.120 9.221 26.157 1.00 73.34 H new ATOM 0 HZ3 LYS A 42 -6.275 7.559 25.845 1.00 73.34 H new ATOM 650 N ILE A 43 0.707 6.265 23.492 1.00 71.51 N ATOM 651 CA ILE A 43 1.794 5.378 23.094 1.00 15.11 C ATOM 652 C ILE A 43 2.460 4.745 24.311 1.00 41.22 C ATOM 653 O ILE A 43 2.702 5.412 25.317 1.00 50.21 O ATOM 654 CB ILE A 43 2.858 6.127 22.271 1.00 63.10 C ATOM 655 CG1 ILE A 43 2.189 7.039 21.241 1.00 44.04 C ATOM 656 CG2 ILE A 43 3.790 5.138 21.586 1.00 52.43 C ATOM 657 CD1 ILE A 43 1.026 6.390 20.524 1.00 12.12 C ATOM 0 H ILE A 43 0.862 7.248 23.270 1.00 71.51 H new ATOM 0 HA ILE A 43 1.354 4.595 22.476 1.00 15.11 H new ATOM 0 HB ILE A 43 3.449 6.746 22.946 1.00 63.10 H new ATOM 0 HG12 ILE A 43 1.839 7.942 21.741 1.00 44.04 H new ATOM 0 HG13 ILE A 43 2.931 7.349 20.506 1.00 44.04 H new ATOM 0 HG21 ILE A 43 4.537 5.682 21.008 1.00 52.43 H new ATOM 0 HG22 ILE A 43 4.288 4.527 22.338 1.00 52.43 H new ATOM 0 HG23 ILE A 43 3.213 4.496 20.920 1.00 52.43 H new ATOM 0 HD11 ILE A 43 0.600 7.094 19.809 1.00 12.12 H new ATOM 0 HD12 ILE A 43 1.374 5.502 19.996 1.00 12.12 H new ATOM 0 HD13 ILE A 43 0.264 6.105 21.250 1.00 12.12 H new ATOM 669 N VAL A 44 2.757 3.453 24.211 1.00 15.22 N ATOM 670 CA VAL A 44 3.398 2.730 25.302 1.00 24.23 C ATOM 671 C VAL A 44 4.446 1.756 24.775 1.00 72.23 C ATOM 672 O VAL A 44 4.211 1.043 23.800 1.00 34.32 O ATOM 673 CB VAL A 44 2.368 1.953 26.143 1.00 22.13 C ATOM 674 CG1 VAL A 44 2.985 1.500 27.458 1.00 74.30 C ATOM 675 CG2 VAL A 44 1.132 2.804 26.390 1.00 12.11 C ATOM 0 H VAL A 44 2.564 2.886 23.385 1.00 15.22 H new ATOM 0 HA VAL A 44 3.883 3.475 25.933 1.00 24.23 H new ATOM 0 HB VAL A 44 2.065 1.066 25.587 1.00 22.13 H new ATOM 0 HG11 VAL A 44 2.243 0.953 28.039 1.00 74.30 H new ATOM 0 HG12 VAL A 44 3.837 0.852 27.256 1.00 74.30 H new ATOM 0 HG13 VAL A 44 3.318 2.371 28.023 1.00 74.30 H new ATOM 0 HG21 VAL A 44 0.415 2.239 26.986 1.00 12.11 H new ATOM 0 HG22 VAL A 44 1.415 3.710 26.926 1.00 12.11 H new ATOM 0 HG23 VAL A 44 0.679 3.073 25.436 1.00 12.11 H new ATOM 685 N GLY A 45 5.605 1.731 25.426 1.00 34.24 N ATOM 686 CA GLY A 45 6.671 0.840 25.009 1.00 45.13 C ATOM 687 C GLY A 45 7.655 0.550 26.125 1.00 31.21 C ATOM 688 O GLY A 45 8.303 1.459 26.644 1.00 31.13 O ATOM 0 H GLY A 45 5.824 2.312 26.235 1.00 34.24 H new ATOM 0 HA2 GLY A 45 6.240 -0.097 24.656 1.00 45.13 H new ATOM 0 HA3 GLY A 45 7.202 1.283 24.167 1.00 45.13 H new ATOM 692 N LYS A 46 7.766 -0.721 26.498 1.00 44.33 N ATOM 693 CA LYS A 46 8.677 -1.130 27.560 1.00 2.12 C ATOM 694 C LYS A 46 9.343 -2.460 27.224 1.00 63.25 C ATOM 695 O LYS A 46 8.763 -3.301 26.536 1.00 34.35 O ATOM 696 CB LYS A 46 7.926 -1.245 28.888 1.00 35.42 C ATOM 697 CG LYS A 46 7.101 -2.515 29.012 1.00 61.00 C ATOM 698 CD LYS A 46 7.689 -3.463 30.043 1.00 21.34 C ATOM 699 CE LYS A 46 8.551 -4.533 29.390 1.00 75.10 C ATOM 700 NZ LYS A 46 8.406 -5.852 30.067 1.00 54.35 N ATOM 0 H LYS A 46 7.236 -1.486 26.080 1.00 44.33 H new ATOM 0 HA LYS A 46 9.452 -0.369 27.652 1.00 2.12 H new ATOM 0 HB2 LYS A 46 8.645 -1.207 29.707 1.00 35.42 H new ATOM 0 HB3 LYS A 46 7.269 -0.382 29.000 1.00 35.42 H new ATOM 0 HG2 LYS A 46 6.079 -2.260 29.292 1.00 61.00 H new ATOM 0 HG3 LYS A 46 7.052 -3.014 28.044 1.00 61.00 H new ATOM 0 HD2 LYS A 46 8.288 -2.899 30.758 1.00 21.34 H new ATOM 0 HD3 LYS A 46 6.884 -3.936 30.605 1.00 21.34 H new ATOM 0 HE2 LYS A 46 8.275 -4.631 28.340 1.00 75.10 H new ATOM 0 HE3 LYS A 46 9.596 -4.224 29.417 1.00 75.10 H new ATOM 0 HZ1 LYS A 46 8.914 -6.579 29.524 1.00 54.35 H new ATOM 0 HZ2 LYS A 46 8.804 -5.795 31.026 1.00 54.35 H new ATOM 0 HZ3 LYS A 46 7.399 -6.104 30.124 1.00 54.35 H new ATOM 714 N THR A 47 10.565 -2.646 27.713 1.00 44.31 N ATOM 715 CA THR A 47 11.310 -3.874 27.464 1.00 10.43 C ATOM 716 C THR A 47 12.288 -4.163 28.597 1.00 12.35 C ATOM 717 O THR A 47 13.190 -3.371 28.868 1.00 32.24 O ATOM 718 CB THR A 47 12.088 -3.800 26.137 1.00 74.13 C ATOM 719 OG1 THR A 47 12.852 -4.997 25.950 1.00 52.54 O ATOM 720 CG2 THR A 47 13.013 -2.593 26.118 1.00 41.02 C ATOM 0 H THR A 47 11.060 -1.961 28.284 1.00 44.31 H new ATOM 0 HA THR A 47 10.579 -4.680 27.404 1.00 10.43 H new ATOM 0 HB THR A 47 11.368 -3.698 25.325 1.00 74.13 H new ATOM 0 HG1 THR A 47 13.343 -4.943 25.103 1.00 52.54 H new ATOM 0 HG21 THR A 47 13.552 -2.562 25.171 1.00 41.02 H new ATOM 0 HG22 THR A 47 12.425 -1.682 26.231 1.00 41.02 H new ATOM 0 HG23 THR A 47 13.726 -2.668 26.939 1.00 41.02 H new ATOM 728 N ASN A 48 12.103 -5.302 29.256 1.00 20.21 N ATOM 729 CA ASN A 48 12.970 -5.696 30.361 1.00 40.32 C ATOM 730 C ASN A 48 12.566 -7.061 30.910 1.00 42.33 C ATOM 731 O ASN A 48 11.447 -7.532 30.708 1.00 13.04 O ATOM 732 CB ASN A 48 12.917 -4.649 31.476 1.00 61.23 C ATOM 733 CG ASN A 48 11.538 -4.037 31.629 1.00 21.45 C ATOM 734 OD1 ASN A 48 11.184 -3.092 30.925 1.00 61.24 O ATOM 735 ND2 ASN A 48 10.752 -4.575 32.555 1.00 61.52 N ATOM 0 H ASN A 48 11.361 -5.969 29.044 1.00 20.21 H new ATOM 0 HA ASN A 48 13.990 -5.764 29.983 1.00 40.32 H new ATOM 0 HB2 ASN A 48 13.213 -5.110 32.418 1.00 61.23 H new ATOM 0 HB3 ASN A 48 13.640 -3.861 31.265 1.00 61.23 H new ATOM 0 HD21 ASN A 48 9.813 -4.205 32.705 1.00 61.52 H new ATOM 0 HD22 ASN A 48 11.087 -5.358 33.116 1.00 61.52 H new ATOM 742 N PRO A 49 13.498 -7.712 31.621 1.00 45.10 N ATOM 743 CA PRO A 49 13.263 -9.031 32.215 1.00 72.33 C ATOM 744 C PRO A 49 12.275 -8.977 33.375 1.00 2.22 C ATOM 745 O PRO A 49 11.534 -9.929 33.617 1.00 1.00 O ATOM 746 CB PRO A 49 14.649 -9.449 32.711 1.00 20.44 C ATOM 747 CG PRO A 49 15.373 -8.167 32.938 1.00 31.21 C ATOM 748 CD PRO A 49 14.854 -7.210 31.901 1.00 43.02 C ATOM 0 HA PRO A 49 12.824 -9.727 31.501 1.00 72.33 H new ATOM 0 HB2 PRO A 49 14.581 -10.033 33.629 1.00 20.44 H new ATOM 0 HB3 PRO A 49 15.162 -10.069 31.976 1.00 20.44 H new ATOM 0 HG2 PRO A 49 15.191 -7.789 33.944 1.00 31.21 H new ATOM 0 HG3 PRO A 49 16.450 -8.304 32.839 1.00 31.21 H new ATOM 0 HD2 PRO A 49 14.834 -6.186 32.274 1.00 43.02 H new ATOM 0 HD3 PRO A 49 15.476 -7.212 31.006 1.00 43.02 H new ATOM 756 N ALA A 50 12.270 -7.856 34.090 1.00 62.32 N ATOM 757 CA ALA A 50 11.372 -7.677 35.223 1.00 35.13 C ATOM 758 C ALA A 50 11.220 -6.201 35.576 1.00 22.31 C ATOM 759 O ALA A 50 10.119 -5.731 35.862 1.00 32.40 O ATOM 760 CB ALA A 50 11.877 -8.460 36.426 1.00 35.21 C ATOM 0 H ALA A 50 12.878 -7.059 33.904 1.00 62.32 H new ATOM 0 HA ALA A 50 10.391 -8.059 34.941 1.00 35.13 H new ATOM 0 HB1 ALA A 50 11.196 -8.317 37.265 1.00 35.21 H new ATOM 0 HB2 ALA A 50 11.927 -9.520 36.176 1.00 35.21 H new ATOM 0 HB3 ALA A 50 12.870 -8.105 36.700 1.00 35.21 H new ATOM 766 N ASP A 51 12.333 -5.476 35.555 1.00 52.24 N ATOM 767 CA ASP A 51 12.324 -4.052 35.872 1.00 33.50 C ATOM 768 C ASP A 51 13.731 -3.470 35.795 1.00 3.51 C ATOM 769 O ASP A 51 14.146 -2.702 36.665 1.00 34.43 O ATOM 770 CB ASP A 51 11.739 -3.823 37.266 1.00 14.14 C ATOM 771 CG ASP A 51 10.789 -2.642 37.308 1.00 35.24 C ATOM 772 OD1 ASP A 51 9.582 -2.843 37.056 1.00 2.24 O ATOM 773 OD2 ASP A 51 11.251 -1.517 37.592 1.00 25.44 O ATOM 0 H ASP A 51 13.253 -5.850 35.322 1.00 52.24 H new ATOM 0 HA ASP A 51 11.700 -3.544 35.137 1.00 33.50 H new ATOM 0 HB2 ASP A 51 11.212 -4.721 37.588 1.00 14.14 H new ATOM 0 HB3 ASP A 51 12.550 -3.658 37.975 1.00 14.14 H new ATOM 778 N LEU A 52 14.463 -3.839 34.750 1.00 53.05 N ATOM 779 CA LEU A 52 15.825 -3.354 34.559 1.00 1.40 C ATOM 780 C LEU A 52 15.841 -2.106 33.681 1.00 21.14 C ATOM 781 O LEU A 52 16.698 -1.235 33.837 1.00 20.14 O ATOM 782 CB LEU A 52 16.693 -4.445 33.930 1.00 50.23 C ATOM 783 CG LEU A 52 16.977 -5.665 34.806 1.00 30.21 C ATOM 784 CD1 LEU A 52 17.921 -6.624 34.097 1.00 40.31 C ATOM 785 CD2 LEU A 52 17.557 -5.236 36.146 1.00 31.30 C ATOM 0 H LEU A 52 14.136 -4.473 34.021 1.00 53.05 H new ATOM 0 HA LEU A 52 16.232 -3.094 35.536 1.00 1.40 H new ATOM 0 HB2 LEU A 52 16.208 -4.785 33.015 1.00 50.23 H new ATOM 0 HB3 LEU A 52 17.645 -4.001 33.640 1.00 50.23 H new ATOM 0 HG LEU A 52 16.036 -6.184 34.989 1.00 30.21 H new ATOM 0 HD11 LEU A 52 18.111 -7.486 34.736 1.00 40.31 H new ATOM 0 HD12 LEU A 52 17.468 -6.957 33.164 1.00 40.31 H new ATOM 0 HD13 LEU A 52 18.862 -6.117 33.883 1.00 40.31 H new ATOM 0 HD21 LEU A 52 17.753 -6.117 36.757 1.00 31.30 H new ATOM 0 HD22 LEU A 52 18.488 -4.693 35.982 1.00 31.30 H new ATOM 0 HD23 LEU A 52 16.846 -4.589 36.660 1.00 31.30 H new ATOM 797 N LEU A 53 14.888 -2.025 32.760 1.00 35.11 N ATOM 798 CA LEU A 53 14.790 -0.883 31.858 1.00 11.44 C ATOM 799 C LEU A 53 14.247 0.342 32.588 1.00 44.20 C ATOM 800 O LEU A 53 13.168 0.299 33.177 1.00 41.23 O ATOM 801 CB LEU A 53 13.890 -1.222 30.669 1.00 51.10 C ATOM 802 CG LEU A 53 13.445 -0.041 29.805 1.00 24.12 C ATOM 803 CD1 LEU A 53 12.237 0.646 30.422 1.00 50.23 C ATOM 804 CD2 LEU A 53 14.588 0.947 29.624 1.00 44.03 C ATOM 0 H LEU A 53 14.171 -2.737 32.618 1.00 35.11 H new ATOM 0 HA LEU A 53 15.791 -0.653 31.494 1.00 11.44 H new ATOM 0 HB2 LEU A 53 14.416 -1.934 30.033 1.00 51.10 H new ATOM 0 HB3 LEU A 53 13.000 -1.727 31.045 1.00 51.10 H new ATOM 0 HG LEU A 53 13.160 -0.420 28.824 1.00 24.12 H new ATOM 0 HD11 LEU A 53 11.935 1.484 29.794 1.00 50.23 H new ATOM 0 HD12 LEU A 53 11.414 -0.065 30.500 1.00 50.23 H new ATOM 0 HD13 LEU A 53 12.495 1.012 31.416 1.00 50.23 H new ATOM 0 HD21 LEU A 53 14.254 1.781 29.007 1.00 44.03 H new ATOM 0 HD22 LEU A 53 14.904 1.320 30.598 1.00 44.03 H new ATOM 0 HD23 LEU A 53 15.426 0.448 29.137 1.00 44.03 H new ATOM 816 N GLY A 54 15.004 1.435 32.543 1.00 73.01 N ATOM 817 CA GLY A 54 14.581 2.657 33.202 1.00 43.14 C ATOM 818 C GLY A 54 13.219 3.127 32.733 1.00 15.20 C ATOM 819 O GLY A 54 12.192 2.648 33.213 1.00 14.10 O ATOM 0 H GLY A 54 15.902 1.496 32.062 1.00 73.01 H new ATOM 0 HA2 GLY A 54 14.555 2.495 34.280 1.00 43.14 H new ATOM 0 HA3 GLY A 54 15.316 3.440 33.016 1.00 43.14 H new ATOM 823 N GLN A 55 13.209 4.068 31.795 1.00 44.35 N ATOM 824 CA GLN A 55 11.962 4.605 31.263 1.00 32.54 C ATOM 825 C GLN A 55 12.051 4.797 29.753 1.00 22.40 C ATOM 826 O GLN A 55 13.133 4.945 29.185 1.00 62.14 O ATOM 827 CB GLN A 55 11.625 5.935 31.940 1.00 60.45 C ATOM 828 CG GLN A 55 12.811 6.879 32.048 1.00 0.42 C ATOM 829 CD GLN A 55 12.409 8.337 31.935 1.00 73.44 C ATOM 830 OE1 GLN A 55 12.713 9.001 30.943 1.00 33.04 O ATOM 831 NE2 GLN A 55 11.721 8.842 32.952 1.00 52.13 N ATOM 0 H GLN A 55 14.051 4.475 31.387 1.00 44.35 H new ATOM 0 HA GLN A 55 11.169 3.887 31.472 1.00 32.54 H new ATOM 0 HB2 GLN A 55 10.829 6.427 31.380 1.00 60.45 H new ATOM 0 HB3 GLN A 55 11.237 5.737 32.939 1.00 60.45 H new ATOM 0 HG2 GLN A 55 13.313 6.717 33.002 1.00 0.42 H new ATOM 0 HG3 GLN A 55 13.531 6.643 31.264 1.00 0.42 H new ATOM 0 HE21 GLN A 55 11.491 8.255 33.754 1.00 52.13 H new ATOM 0 HE22 GLN A 55 11.422 9.817 32.931 1.00 52.13 H new ATOM 840 N PRO A 56 10.888 4.794 29.086 1.00 73.12 N ATOM 841 CA PRO A 56 10.808 4.967 27.632 1.00 22.03 C ATOM 842 C PRO A 56 11.167 6.383 27.197 1.00 42.53 C ATOM 843 O PRO A 56 10.967 7.342 27.943 1.00 62.03 O ATOM 844 CB PRO A 56 9.340 4.667 27.319 1.00 2.01 C ATOM 845 CG PRO A 56 8.613 4.970 28.584 1.00 44.44 C ATOM 846 CD PRO A 56 9.560 4.622 29.699 1.00 11.20 C ATOM 0 HA PRO A 56 11.510 4.321 27.105 1.00 22.03 H new ATOM 0 HB2 PRO A 56 8.977 5.283 26.496 1.00 2.01 H new ATOM 0 HB3 PRO A 56 9.203 3.627 27.023 1.00 2.01 H new ATOM 0 HG2 PRO A 56 8.328 6.021 28.628 1.00 44.44 H new ATOM 0 HG3 PRO A 56 7.695 4.387 28.656 1.00 44.44 H new ATOM 0 HD2 PRO A 56 9.426 5.278 30.559 1.00 11.20 H new ATOM 0 HD3 PRO A 56 9.409 3.601 30.050 1.00 11.20 H new ATOM 854 N SER A 57 11.698 6.508 25.984 1.00 11.45 N ATOM 855 CA SER A 57 12.088 7.808 25.451 1.00 51.21 C ATOM 856 C SER A 57 11.405 8.073 24.113 1.00 51.33 C ATOM 857 O SER A 57 12.029 7.984 23.055 1.00 24.24 O ATOM 858 CB SER A 57 13.607 7.880 25.284 1.00 20.31 C ATOM 859 OG SER A 57 14.208 8.565 26.370 1.00 74.34 O ATOM 0 H SER A 57 11.868 5.725 25.353 1.00 11.45 H new ATOM 0 HA SER A 57 11.771 8.573 26.159 1.00 51.21 H new ATOM 0 HB2 SER A 57 14.016 6.872 25.214 1.00 20.31 H new ATOM 0 HB3 SER A 57 13.850 8.388 24.351 1.00 20.31 H new ATOM 0 HG SER A 57 15.179 8.596 26.240 1.00 74.34 H new ATOM 865 N PHE A 58 10.118 8.400 24.167 1.00 50.11 N ATOM 866 CA PHE A 58 9.348 8.678 22.960 1.00 62.51 C ATOM 867 C PHE A 58 9.650 10.077 22.432 1.00 12.11 C ATOM 868 O PHE A 58 9.673 11.047 23.190 1.00 33.44 O ATOM 869 CB PHE A 58 7.851 8.538 23.241 1.00 14.13 C ATOM 870 CG PHE A 58 7.398 9.285 24.463 1.00 2.13 C ATOM 871 CD1 PHE A 58 7.044 10.622 24.383 1.00 41.25 C ATOM 872 CD2 PHE A 58 7.327 8.650 25.693 1.00 54.04 C ATOM 873 CE1 PHE A 58 6.628 11.312 25.506 1.00 62.13 C ATOM 874 CE2 PHE A 58 6.911 9.335 26.819 1.00 20.43 C ATOM 875 CZ PHE A 58 6.560 10.667 26.725 1.00 4.13 C ATOM 0 H PHE A 58 9.586 8.479 25.034 1.00 50.11 H new ATOM 0 HA PHE A 58 9.637 7.952 22.200 1.00 62.51 H new ATOM 0 HB2 PHE A 58 7.292 8.898 22.377 1.00 14.13 H new ATOM 0 HB3 PHE A 58 7.609 7.482 23.360 1.00 14.13 H new ATOM 0 HD1 PHE A 58 7.094 11.131 23.432 1.00 41.25 H new ATOM 0 HD2 PHE A 58 7.600 7.608 25.772 1.00 54.04 H new ATOM 0 HE1 PHE A 58 6.356 12.355 25.430 1.00 62.13 H new ATOM 0 HE2 PHE A 58 6.861 8.829 27.772 1.00 20.43 H new ATOM 0 HZ PHE A 58 6.233 11.203 27.603 1.00 4.13 H new ATOM 885 N SER A 59 9.881 10.174 21.127 1.00 64.32 N ATOM 886 CA SER A 59 10.186 11.453 20.497 1.00 0.11 C ATOM 887 C SER A 59 9.068 12.461 20.745 1.00 35.41 C ATOM 888 O SER A 59 8.074 12.154 21.404 1.00 30.14 O ATOM 889 CB SER A 59 10.397 11.268 18.993 1.00 31.02 C ATOM 890 OG SER A 59 9.158 11.141 18.316 1.00 24.54 O ATOM 0 H SER A 59 9.863 9.382 20.485 1.00 64.32 H new ATOM 0 HA SER A 59 11.104 11.838 20.940 1.00 0.11 H new ATOM 0 HB2 SER A 59 10.948 12.119 18.593 1.00 31.02 H new ATOM 0 HB3 SER A 59 11.005 10.381 18.814 1.00 31.02 H new ATOM 0 HG SER A 59 9.320 11.026 17.356 1.00 24.54 H new ATOM 896 N LYS A 60 9.237 13.666 20.212 1.00 74.23 N ATOM 897 CA LYS A 60 8.243 14.720 20.372 1.00 14.44 C ATOM 898 C LYS A 60 7.648 15.118 19.025 1.00 60.50 C ATOM 899 O LYS A 60 8.190 15.971 18.324 1.00 72.23 O ATOM 900 CB LYS A 60 8.871 15.943 21.045 1.00 15.20 C ATOM 901 CG LYS A 60 7.851 16.947 21.555 1.00 3.30 C ATOM 902 CD LYS A 60 8.041 17.231 23.036 1.00 52.13 C ATOM 903 CE LYS A 60 7.100 16.394 23.889 1.00 50.04 C ATOM 904 NZ LYS A 60 7.710 16.035 25.199 1.00 42.32 N ATOM 0 H LYS A 60 10.054 13.937 19.665 1.00 74.23 H new ATOM 0 HA LYS A 60 7.442 14.336 21.003 1.00 14.44 H new ATOM 0 HB2 LYS A 60 9.490 15.611 21.879 1.00 15.20 H new ATOM 0 HB3 LYS A 60 9.533 16.439 20.335 1.00 15.20 H new ATOM 0 HG2 LYS A 60 7.940 17.876 20.991 1.00 3.30 H new ATOM 0 HG3 LYS A 60 6.845 16.564 21.383 1.00 3.30 H new ATOM 0 HD2 LYS A 60 9.073 17.022 23.318 1.00 52.13 H new ATOM 0 HD3 LYS A 60 7.866 18.289 23.230 1.00 52.13 H new ATOM 0 HE2 LYS A 60 6.175 16.946 24.058 1.00 50.04 H new ATOM 0 HE3 LYS A 60 6.834 15.484 23.351 1.00 50.04 H new ATOM 0 HZ1 LYS A 60 7.037 15.465 25.751 1.00 42.32 H new ATOM 0 HZ2 LYS A 60 8.579 15.486 25.039 1.00 42.32 H new ATOM 0 HZ3 LYS A 60 7.940 16.903 25.724 1.00 42.32 H new ATOM 918 N GLY A 61 6.529 14.493 18.670 1.00 50.33 N ATOM 919 CA GLY A 61 5.879 14.796 17.408 1.00 0.31 C ATOM 920 C GLY A 61 5.420 16.238 17.324 1.00 12.52 C ATOM 921 O GLY A 61 6.226 17.141 17.102 1.00 24.13 O ATOM 0 H GLY A 61 6.061 13.783 19.233 1.00 50.33 H new ATOM 0 HA2 GLY A 61 6.568 14.589 16.589 1.00 0.31 H new ATOM 0 HA3 GLY A 61 5.021 14.137 17.277 1.00 0.31 H new ATOM 925 N GLU A 62 4.120 16.455 17.500 1.00 1.44 N ATOM 926 CA GLU A 62 3.556 17.799 17.441 1.00 74.55 C ATOM 927 C GLU A 62 2.367 17.932 18.388 1.00 21.14 C ATOM 928 O GLU A 62 1.590 16.994 18.561 1.00 21.50 O ATOM 929 CB GLU A 62 3.122 18.130 16.011 1.00 14.22 C ATOM 930 CG GLU A 62 3.046 19.621 15.729 1.00 54.23 C ATOM 931 CD GLU A 62 4.390 20.213 15.353 1.00 2.12 C ATOM 932 OE1 GLU A 62 5.389 19.464 15.351 1.00 61.13 O ATOM 933 OE2 GLU A 62 4.443 21.426 15.061 1.00 11.45 O ATOM 0 H GLU A 62 3.439 15.719 17.684 1.00 1.44 H new ATOM 0 HA GLU A 62 4.327 18.504 17.753 1.00 74.55 H new ATOM 0 HB2 GLU A 62 3.822 17.672 15.312 1.00 14.22 H new ATOM 0 HB3 GLU A 62 2.146 17.683 15.824 1.00 14.22 H new ATOM 0 HG2 GLU A 62 2.336 19.798 14.921 1.00 54.23 H new ATOM 0 HG3 GLU A 62 2.661 20.134 16.610 1.00 54.23 H new ATOM 940 N GLU A 63 2.234 19.105 19.000 1.00 22.31 N ATOM 941 CA GLU A 63 1.142 19.360 19.932 1.00 52.14 C ATOM 942 C GLU A 63 -0.148 19.682 19.182 1.00 10.04 C ATOM 943 O GLU A 63 -0.140 20.419 18.196 1.00 24.20 O ATOM 944 CB GLU A 63 1.501 20.514 20.870 1.00 43.33 C ATOM 945 CG GLU A 63 1.249 20.208 22.336 1.00 22.44 C ATOM 946 CD GLU A 63 1.335 21.442 23.213 1.00 35.34 C ATOM 947 OE1 GLU A 63 1.350 22.562 22.661 1.00 63.43 O ATOM 948 OE2 GLU A 63 1.386 21.288 24.451 1.00 13.05 O ATOM 0 H GLU A 63 2.868 19.893 18.867 1.00 22.31 H new ATOM 0 HA GLU A 63 0.984 18.458 20.523 1.00 52.14 H new ATOM 0 HB2 GLU A 63 2.553 20.766 20.736 1.00 43.33 H new ATOM 0 HB3 GLU A 63 0.924 21.394 20.587 1.00 43.33 H new ATOM 0 HG2 GLU A 63 0.262 19.758 22.445 1.00 22.44 H new ATOM 0 HG3 GLU A 63 1.975 19.471 22.680 1.00 22.44 H new ATOM 955 N LYS A 64 -1.256 19.124 19.658 1.00 72.25 N ATOM 956 CA LYS A 64 -2.555 19.350 19.035 1.00 11.30 C ATOM 957 C LYS A 64 -3.659 19.412 20.086 1.00 1.10 C ATOM 958 O LYS A 64 -3.590 18.735 21.111 1.00 31.11 O ATOM 959 CB LYS A 64 -2.860 18.242 18.025 1.00 63.22 C ATOM 960 CG LYS A 64 -4.180 18.428 17.297 1.00 30.13 C ATOM 961 CD LYS A 64 -5.265 17.535 17.874 1.00 34.42 C ATOM 962 CE LYS A 64 -5.725 16.494 16.865 1.00 33.31 C ATOM 963 NZ LYS A 64 -6.328 17.121 15.656 1.00 4.13 N ATOM 0 H LYS A 64 -1.280 18.512 20.473 1.00 72.25 H new ATOM 0 HA LYS A 64 -2.518 20.307 18.515 1.00 11.30 H new ATOM 0 HB2 LYS A 64 -2.054 18.198 17.293 1.00 63.22 H new ATOM 0 HB3 LYS A 64 -2.873 17.283 18.543 1.00 63.22 H new ATOM 0 HG2 LYS A 64 -4.491 19.471 17.366 1.00 30.13 H new ATOM 0 HG3 LYS A 64 -4.048 18.204 16.239 1.00 30.13 H new ATOM 0 HD2 LYS A 64 -4.890 17.036 18.768 1.00 34.42 H new ATOM 0 HD3 LYS A 64 -6.114 18.145 18.182 1.00 34.42 H new ATOM 0 HE2 LYS A 64 -4.877 15.876 16.569 1.00 33.31 H new ATOM 0 HE3 LYS A 64 -6.454 15.832 17.333 1.00 33.31 H new ATOM 0 HZ1 LYS A 64 -7.012 16.464 15.229 1.00 4.13 H new ATOM 0 HZ2 LYS A 64 -6.815 17.999 15.927 1.00 4.13 H new ATOM 0 HZ3 LYS A 64 -5.579 17.338 14.967 1.00 4.13 H new ATOM 977 N GLU A 65 -4.676 20.227 19.823 1.00 45.31 N ATOM 978 CA GLU A 65 -5.794 20.376 20.747 1.00 23.41 C ATOM 979 C GLU A 65 -7.083 19.841 20.131 1.00 33.41 C ATOM 980 O GLU A 65 -7.414 20.154 18.987 1.00 21.33 O ATOM 981 CB GLU A 65 -5.972 21.845 21.135 1.00 71.11 C ATOM 982 CG GLU A 65 -7.147 22.090 22.067 1.00 51.25 C ATOM 983 CD GLU A 65 -7.498 23.560 22.188 1.00 13.32 C ATOM 984 OE1 GLU A 65 -6.788 24.391 21.583 1.00 14.14 O ATOM 985 OE2 GLU A 65 -8.482 23.880 22.888 1.00 41.13 O ATOM 0 H GLU A 65 -4.748 20.794 18.978 1.00 45.31 H new ATOM 0 HA GLU A 65 -5.572 19.796 21.643 1.00 23.41 H new ATOM 0 HB2 GLU A 65 -5.059 22.199 21.614 1.00 71.11 H new ATOM 0 HB3 GLU A 65 -6.107 22.437 20.230 1.00 71.11 H new ATOM 0 HG2 GLU A 65 -8.016 21.542 21.703 1.00 51.25 H new ATOM 0 HG3 GLU A 65 -6.911 21.694 23.055 1.00 51.25 H new ATOM 992 N ASP A 66 -7.807 19.032 20.897 1.00 24.24 N ATOM 993 CA ASP A 66 -9.060 18.453 20.428 1.00 33.15 C ATOM 994 C ASP A 66 -9.971 18.105 21.602 1.00 25.40 C ATOM 995 O ASP A 66 -9.721 18.513 22.736 1.00 65.15 O ATOM 996 CB ASP A 66 -8.788 17.203 19.590 1.00 5.20 C ATOM 997 CG ASP A 66 -9.675 17.124 18.363 1.00 4.21 C ATOM 998 OD1 ASP A 66 -9.561 18.011 17.491 1.00 22.42 O ATOM 999 OD2 ASP A 66 -10.483 16.176 18.275 1.00 13.32 O ATOM 0 H ASP A 66 -7.547 18.762 21.846 1.00 24.24 H new ATOM 0 HA ASP A 66 -9.564 19.194 19.807 1.00 33.15 H new ATOM 0 HB2 ASP A 66 -7.743 17.197 19.280 1.00 5.20 H new ATOM 0 HB3 ASP A 66 -8.943 16.316 20.205 1.00 5.20 H new ATOM 1004 N GLU A 67 -11.027 17.349 21.321 1.00 72.52 N ATOM 1005 CA GLU A 67 -11.975 16.948 22.354 1.00 74.55 C ATOM 1006 C GLU A 67 -11.849 15.458 22.660 1.00 64.03 C ATOM 1007 O GLU A 67 -12.451 14.954 23.608 1.00 52.21 O ATOM 1008 CB GLU A 67 -13.406 17.270 21.917 1.00 60.34 C ATOM 1009 CG GLU A 67 -13.772 16.693 20.559 1.00 11.32 C ATOM 1010 CD GLU A 67 -15.166 17.091 20.113 1.00 21.24 C ATOM 1011 OE1 GLU A 67 -15.354 18.262 19.725 1.00 45.44 O ATOM 1012 OE2 GLU A 67 -16.069 16.229 20.153 1.00 11.13 O ATOM 0 H GLU A 67 -11.248 17.002 20.388 1.00 72.52 H new ATOM 0 HA GLU A 67 -11.744 17.508 23.260 1.00 74.55 H new ATOM 0 HB2 GLU A 67 -14.100 16.886 22.665 1.00 60.34 H new ATOM 0 HB3 GLU A 67 -13.534 18.352 21.889 1.00 60.34 H new ATOM 0 HG2 GLU A 67 -13.047 17.030 19.818 1.00 11.32 H new ATOM 0 HG3 GLU A 67 -13.704 15.606 20.600 1.00 11.32 H new ATOM 1019 N PHE A 68 -11.061 14.758 21.850 1.00 41.43 N ATOM 1020 CA PHE A 68 -10.856 13.326 22.032 1.00 4.21 C ATOM 1021 C PHE A 68 -9.764 13.060 23.065 1.00 41.44 C ATOM 1022 O PHE A 68 -9.449 11.910 23.370 1.00 71.13 O ATOM 1023 CB PHE A 68 -10.485 12.669 20.701 1.00 51.01 C ATOM 1024 CG PHE A 68 -11.658 12.469 19.784 1.00 31.44 C ATOM 1025 CD1 PHE A 68 -12.420 13.548 19.366 1.00 4.01 C ATOM 1026 CD2 PHE A 68 -11.999 11.201 19.341 1.00 41.13 C ATOM 1027 CE1 PHE A 68 -13.500 13.366 18.523 1.00 1.15 C ATOM 1028 CE2 PHE A 68 -13.078 11.013 18.498 1.00 41.14 C ATOM 1029 CZ PHE A 68 -13.829 12.097 18.088 1.00 43.43 C ATOM 0 H PHE A 68 -10.554 15.160 21.061 1.00 41.43 H new ATOM 0 HA PHE A 68 -11.789 12.894 22.395 1.00 4.21 H new ATOM 0 HB2 PHE A 68 -9.740 13.284 20.196 1.00 51.01 H new ATOM 0 HB3 PHE A 68 -10.020 11.703 20.899 1.00 51.01 H new ATOM 0 HD1 PHE A 68 -12.167 14.543 19.703 1.00 4.01 H new ATOM 0 HD2 PHE A 68 -11.415 10.350 19.658 1.00 41.13 H new ATOM 0 HE1 PHE A 68 -14.086 14.215 18.205 1.00 1.15 H new ATOM 0 HE2 PHE A 68 -13.334 10.019 18.160 1.00 41.14 H new ATOM 0 HZ PHE A 68 -14.672 11.953 17.428 1.00 43.43 H new ATOM 1039 N PHE A 69 -9.189 14.133 23.599 1.00 54.12 N ATOM 1040 CA PHE A 69 -8.132 14.017 24.596 1.00 43.11 C ATOM 1041 C PHE A 69 -7.743 15.389 25.139 1.00 53.10 C ATOM 1042 O PHE A 69 -7.381 15.527 26.307 1.00 60.05 O ATOM 1043 CB PHE A 69 -6.906 13.329 23.992 1.00 5.40 C ATOM 1044 CG PHE A 69 -6.148 14.195 23.026 1.00 24.14 C ATOM 1045 CD1 PHE A 69 -6.764 14.691 21.889 1.00 14.33 C ATOM 1046 CD2 PHE A 69 -4.819 14.513 23.256 1.00 23.41 C ATOM 1047 CE1 PHE A 69 -6.069 15.487 20.999 1.00 40.32 C ATOM 1048 CE2 PHE A 69 -4.118 15.309 22.369 1.00 32.43 C ATOM 1049 CZ PHE A 69 -4.745 15.797 21.240 1.00 43.43 C ATOM 0 H PHE A 69 -9.438 15.092 23.358 1.00 54.12 H new ATOM 0 HA PHE A 69 -8.510 13.413 25.421 1.00 43.11 H new ATOM 0 HB2 PHE A 69 -6.237 13.024 24.797 1.00 5.40 H new ATOM 0 HB3 PHE A 69 -7.224 12.420 23.481 1.00 5.40 H new ATOM 0 HD1 PHE A 69 -7.800 14.453 21.696 1.00 14.33 H new ATOM 0 HD2 PHE A 69 -4.325 14.135 24.139 1.00 23.41 H new ATOM 0 HE1 PHE A 69 -6.561 15.867 20.116 1.00 40.32 H new ATOM 0 HE2 PHE A 69 -3.082 15.548 22.559 1.00 32.43 H new ATOM 0 HZ PHE A 69 -4.201 16.420 20.546 1.00 43.43 H new ATOM 1059 N GLY A 70 -7.822 16.402 24.281 1.00 5.45 N ATOM 1060 CA GLY A 70 -7.475 17.750 24.692 1.00 2.33 C ATOM 1061 C GLY A 70 -6.225 18.263 24.004 1.00 31.23 C ATOM 1062 O GLY A 70 -5.989 17.969 22.832 1.00 23.45 O ATOM 0 H GLY A 70 -8.120 16.313 23.310 1.00 5.45 H new ATOM 0 HA2 GLY A 70 -8.307 18.419 24.472 1.00 2.33 H new ATOM 0 HA3 GLY A 70 -7.326 17.770 25.772 1.00 2.33 H new ATOM 1066 N ARG A 71 -5.424 19.033 24.733 1.00 23.31 N ATOM 1067 CA ARG A 71 -4.193 19.590 24.185 1.00 60.43 C ATOM 1068 C ARG A 71 -2.980 18.786 24.645 1.00 73.34 C ATOM 1069 O ARG A 71 -2.517 18.936 25.775 1.00 72.02 O ATOM 1070 CB ARG A 71 -4.038 21.052 24.605 1.00 11.24 C ATOM 1071 CG ARG A 71 -4.825 21.413 25.855 1.00 43.21 C ATOM 1072 CD ARG A 71 -4.254 20.732 27.089 1.00 44.42 C ATOM 1073 NE ARG A 71 -4.963 21.119 28.305 1.00 11.23 N ATOM 1074 CZ ARG A 71 -4.526 20.847 29.530 1.00 64.45 C ATOM 1075 NH1 ARG A 71 -3.387 20.190 29.699 1.00 24.50 N ATOM 1076 NH2 ARG A 71 -5.228 21.232 30.587 1.00 3.04 N ATOM 0 H ARG A 71 -5.605 19.285 25.705 1.00 23.31 H new ATOM 0 HA ARG A 71 -4.252 19.536 23.098 1.00 60.43 H new ATOM 0 HB2 ARG A 71 -2.982 21.262 24.777 1.00 11.24 H new ATOM 0 HB3 ARG A 71 -4.361 21.693 23.785 1.00 11.24 H new ATOM 0 HG2 ARG A 71 -4.811 22.494 25.995 1.00 43.21 H new ATOM 0 HG3 ARG A 71 -5.867 21.121 25.727 1.00 43.21 H new ATOM 0 HD2 ARG A 71 -4.311 19.651 26.965 1.00 44.42 H new ATOM 0 HD3 ARG A 71 -3.199 20.987 27.188 1.00 44.42 H new ATOM 0 HE ARG A 71 -5.843 21.626 28.209 1.00 11.23 H new ATOM 0 HH11 ARG A 71 -2.845 19.893 28.888 1.00 24.50 H new ATOM 0 HH12 ARG A 71 -3.053 19.982 30.640 1.00 24.50 H new ATOM 0 HH21 ARG A 71 -6.105 21.738 30.460 1.00 3.04 H new ATOM 0 HH22 ARG A 71 -4.891 21.022 31.527 1.00 3.04 H new ATOM 1090 N GLN A 72 -2.472 17.933 23.761 1.00 74.22 N ATOM 1091 CA GLN A 72 -1.315 17.105 24.077 1.00 23.32 C ATOM 1092 C GLN A 72 -0.507 16.796 22.821 1.00 21.30 C ATOM 1093 O GLN A 72 -0.935 17.093 21.705 1.00 3.52 O ATOM 1094 CB GLN A 72 -1.760 15.802 24.745 1.00 42.41 C ATOM 1095 CG GLN A 72 -1.488 15.762 26.240 1.00 32.40 C ATOM 1096 CD GLN A 72 -2.749 15.923 27.067 1.00 64.12 C ATOM 1097 OE1 GLN A 72 -3.662 15.100 26.994 1.00 0.22 O ATOM 1098 NE2 GLN A 72 -2.805 16.987 27.859 1.00 21.34 N ATOM 0 H GLN A 72 -2.844 17.798 22.821 1.00 74.22 H new ATOM 0 HA GLN A 72 -0.681 17.661 24.768 1.00 23.32 H new ATOM 0 HB2 GLN A 72 -2.827 15.662 24.574 1.00 42.41 H new ATOM 0 HB3 GLN A 72 -1.248 14.966 24.268 1.00 42.41 H new ATOM 0 HG2 GLN A 72 -1.010 14.816 26.493 1.00 32.40 H new ATOM 0 HG3 GLN A 72 -0.785 16.553 26.499 1.00 32.40 H new ATOM 0 HE21 GLN A 72 -2.025 17.643 27.888 1.00 21.34 H new ATOM 0 HE22 GLN A 72 -3.628 17.148 28.439 1.00 21.34 H new ATOM 1107 N THR A 73 0.665 16.196 23.009 1.00 11.53 N ATOM 1108 CA THR A 73 1.534 15.848 21.892 1.00 14.51 C ATOM 1109 C THR A 73 1.071 14.563 21.216 1.00 64.20 C ATOM 1110 O THR A 73 0.657 13.614 21.882 1.00 71.34 O ATOM 1111 CB THR A 73 2.995 15.678 22.349 1.00 51.35 C ATOM 1112 OG1 THR A 73 3.172 16.254 23.648 1.00 65.43 O ATOM 1113 CG2 THR A 73 3.950 16.335 21.363 1.00 73.12 C ATOM 0 H THR A 73 1.034 15.941 23.925 1.00 11.53 H new ATOM 0 HA THR A 73 1.478 16.671 21.179 1.00 14.51 H new ATOM 0 HB THR A 73 3.218 14.612 22.391 1.00 51.35 H new ATOM 0 HG1 THR A 73 4.103 16.140 23.932 1.00 65.43 H new ATOM 0 HG21 THR A 73 4.976 16.202 21.707 1.00 73.12 H new ATOM 0 HG22 THR A 73 3.833 15.875 20.382 1.00 73.12 H new ATOM 0 HG23 THR A 73 3.726 17.399 21.293 1.00 73.12 H new ATOM 1121 N VAL A 74 1.146 14.538 19.889 1.00 72.40 N ATOM 1122 CA VAL A 74 0.737 13.367 19.122 1.00 35.14 C ATOM 1123 C VAL A 74 1.672 13.128 17.942 1.00 11.24 C ATOM 1124 O VAL A 74 2.591 13.910 17.697 1.00 54.21 O ATOM 1125 CB VAL A 74 -0.705 13.514 18.599 1.00 3.43 C ATOM 1126 CG1 VAL A 74 -1.657 13.836 19.741 1.00 70.30 C ATOM 1127 CG2 VAL A 74 -0.772 14.584 17.520 1.00 15.52 C ATOM 0 H VAL A 74 1.486 15.315 19.323 1.00 72.40 H new ATOM 0 HA VAL A 74 0.785 12.513 19.798 1.00 35.14 H new ATOM 0 HB VAL A 74 -1.013 12.566 18.159 1.00 3.43 H new ATOM 0 HG11 VAL A 74 -2.670 13.936 19.353 1.00 70.30 H new ATOM 0 HG12 VAL A 74 -1.628 13.032 20.476 1.00 70.30 H new ATOM 0 HG13 VAL A 74 -1.355 14.771 20.213 1.00 70.30 H new ATOM 0 HG21 VAL A 74 -1.797 14.675 17.161 1.00 15.52 H new ATOM 0 HG22 VAL A 74 -0.446 15.538 17.933 1.00 15.52 H new ATOM 0 HG23 VAL A 74 -0.121 14.306 16.691 1.00 15.52 H new ATOM 1137 N TYR A 75 1.432 12.043 17.215 1.00 53.34 N ATOM 1138 CA TYR A 75 2.254 11.700 16.061 1.00 70.35 C ATOM 1139 C TYR A 75 1.415 11.658 14.787 1.00 41.31 C ATOM 1140 O TYR A 75 0.277 11.187 14.794 1.00 65.13 O ATOM 1141 CB TYR A 75 2.937 10.349 16.279 1.00 61.43 C ATOM 1142 CG TYR A 75 3.867 10.326 17.471 1.00 34.41 C ATOM 1143 CD1 TYR A 75 4.887 11.260 17.600 1.00 71.22 C ATOM 1144 CD2 TYR A 75 3.724 9.370 18.470 1.00 74.04 C ATOM 1145 CE1 TYR A 75 5.739 11.242 18.687 1.00 32.21 C ATOM 1146 CE2 TYR A 75 4.570 9.345 19.561 1.00 0.43 C ATOM 1147 CZ TYR A 75 5.576 10.283 19.665 1.00 22.02 C ATOM 1148 OH TYR A 75 6.422 10.263 20.751 1.00 71.35 O ATOM 0 H TYR A 75 0.675 11.386 17.404 1.00 53.34 H new ATOM 0 HA TYR A 75 3.016 12.471 15.948 1.00 70.35 H new ATOM 0 HB2 TYR A 75 2.173 9.582 16.410 1.00 61.43 H new ATOM 0 HB3 TYR A 75 3.501 10.088 15.384 1.00 61.43 H new ATOM 0 HD1 TYR A 75 5.016 12.013 16.837 1.00 71.22 H new ATOM 0 HD2 TYR A 75 2.938 8.634 18.391 1.00 74.04 H new ATOM 0 HE1 TYR A 75 6.528 11.974 18.771 1.00 32.21 H new ATOM 0 HE2 TYR A 75 4.445 8.595 20.328 1.00 0.43 H new ATOM 0 HH TYR A 75 6.740 11.172 20.934 1.00 71.35 H new ATOM 1158 N HIS A 76 1.986 12.155 13.694 1.00 72.12 N ATOM 1159 CA HIS A 76 1.292 12.174 12.411 1.00 43.22 C ATOM 1160 C HIS A 76 1.823 11.080 11.490 1.00 70.41 C ATOM 1161 O HIS A 76 1.176 10.711 10.509 1.00 13.22 O ATOM 1162 CB HIS A 76 1.450 13.540 11.742 1.00 2.23 C ATOM 1163 CG HIS A 76 2.863 14.037 11.720 1.00 22.53 C ATOM 1164 ND1 HIS A 76 3.994 13.467 11.243 1.00 5.12 N flip ATOM 1165 CD2 HIS A 76 3.239 15.259 12.235 1.00 63.22 C flip ATOM 1166 CE1 HIS A 76 5.023 14.347 11.474 1.00 74.42 C flip ATOM 1167 NE2 HIS A 76 4.541 15.421 12.074 1.00 33.14 N flip ATOM 0 H HIS A 76 2.926 12.549 13.671 1.00 72.12 H new ATOM 0 HA HIS A 76 0.234 11.988 12.596 1.00 43.22 H new ATOM 0 HB2 HIS A 76 1.079 13.479 10.719 1.00 2.23 H new ATOM 0 HB3 HIS A 76 0.827 14.265 12.265 1.00 2.23 H new ATOM 0 HD2 HIS A 76 2.574 15.973 12.698 1.00 63.22 H new ATOM 0 HE1 HIS A 76 6.058 14.187 11.208 1.00 74.42 H new ATOM 0 HE2 HIS A 76 5.081 16.236 12.364 1.00 33.14 H new ATOM 1175 N HIS A 77 3.005 10.564 11.812 1.00 62.24 N ATOM 1176 CA HIS A 77 3.623 9.511 11.013 1.00 51.21 C ATOM 1177 C HIS A 77 4.845 8.937 11.723 1.00 21.20 C ATOM 1178 O HIS A 77 5.096 7.733 11.670 1.00 40.42 O ATOM 1179 CB HIS A 77 4.024 10.052 9.640 1.00 13.22 C ATOM 1180 CG HIS A 77 4.526 8.997 8.704 1.00 74.34 C ATOM 1181 ND1 HIS A 77 3.928 8.719 7.493 1.00 74.05 N ATOM 1182 CD2 HIS A 77 5.577 8.150 8.805 1.00 12.14 C ATOM 1183 CE1 HIS A 77 4.588 7.746 6.891 1.00 42.03 C ATOM 1184 NE2 HIS A 77 5.594 7.383 7.666 1.00 11.33 N ATOM 0 H HIS A 77 3.554 10.858 12.620 1.00 62.24 H new ATOM 0 HA HIS A 77 2.893 8.713 10.881 1.00 51.21 H new ATOM 0 HB2 HIS A 77 3.164 10.547 9.189 1.00 13.22 H new ATOM 0 HB3 HIS A 77 4.797 10.810 9.769 1.00 13.22 H new ATOM 0 HD1 HIS A 77 3.104 9.191 7.120 1.00 74.05 H new ATOM 0 HD2 HIS A 77 6.273 8.089 9.629 1.00 12.14 H new ATOM 0 HE1 HIS A 77 4.346 7.320 5.929 1.00 42.03 H new ATOM 1192 N GLU A 78 5.601 9.806 12.386 1.00 3.11 N ATOM 1193 CA GLU A 78 6.798 9.384 13.105 1.00 52.12 C ATOM 1194 C GLU A 78 6.488 9.134 14.578 1.00 73.32 C ATOM 1195 O GLU A 78 5.804 9.928 15.223 1.00 50.02 O ATOM 1196 CB GLU A 78 7.897 10.441 12.976 1.00 15.31 C ATOM 1197 CG GLU A 78 7.435 11.845 13.330 1.00 20.14 C ATOM 1198 CD GLU A 78 8.478 12.623 14.110 1.00 72.52 C ATOM 1199 OE1 GLU A 78 9.620 12.741 13.619 1.00 31.34 O ATOM 1200 OE2 GLU A 78 8.151 13.113 15.211 1.00 53.22 O ATOM 0 H GLU A 78 5.406 10.806 12.440 1.00 3.11 H new ATOM 0 HA GLU A 78 7.147 8.451 12.662 1.00 52.12 H new ATOM 0 HB2 GLU A 78 8.730 10.168 13.623 1.00 15.31 H new ATOM 0 HB3 GLU A 78 8.274 10.438 11.953 1.00 15.31 H new ATOM 0 HG2 GLU A 78 7.193 12.385 12.415 1.00 20.14 H new ATOM 0 HG3 GLU A 78 6.518 11.785 13.916 1.00 20.14 H new ATOM 1207 N ALA A 79 6.995 8.023 15.103 1.00 44.41 N ATOM 1208 CA ALA A 79 6.775 7.668 16.499 1.00 15.32 C ATOM 1209 C ALA A 79 7.763 6.602 16.958 1.00 64.15 C ATOM 1210 O ALA A 79 7.522 5.407 16.791 1.00 71.21 O ATOM 1211 CB ALA A 79 5.345 7.187 16.702 1.00 43.43 C ATOM 0 H ALA A 79 7.561 7.353 14.582 1.00 44.41 H new ATOM 0 HA ALA A 79 6.937 8.560 17.104 1.00 15.32 H new ATOM 0 HB1 ALA A 79 5.194 6.925 17.749 1.00 43.43 H new ATOM 0 HB2 ALA A 79 4.651 7.980 16.423 1.00 43.43 H new ATOM 0 HB3 ALA A 79 5.164 6.311 16.079 1.00 43.43 H new ATOM 1217 N GLN A 80 8.877 7.043 17.534 1.00 32.34 N ATOM 1218 CA GLN A 80 9.903 6.125 18.015 1.00 74.40 C ATOM 1219 C GLN A 80 10.174 6.341 19.500 1.00 31.31 C ATOM 1220 O GLN A 80 10.091 7.463 20.000 1.00 34.53 O ATOM 1221 CB GLN A 80 11.195 6.307 17.217 1.00 74.24 C ATOM 1222 CG GLN A 80 12.402 5.637 17.852 1.00 21.11 C ATOM 1223 CD GLN A 80 13.673 5.845 17.053 1.00 42.33 C ATOM 1224 OE1 GLN A 80 13.733 5.526 15.865 1.00 33.40 O ATOM 1225 NE2 GLN A 80 14.699 6.384 17.701 1.00 0.21 N ATOM 0 H GLN A 80 9.092 8.030 17.679 1.00 32.34 H new ATOM 0 HA GLN A 80 9.538 5.107 17.875 1.00 74.40 H new ATOM 0 HB2 GLN A 80 11.052 5.905 16.214 1.00 74.24 H new ATOM 0 HB3 GLN A 80 11.397 7.372 17.107 1.00 74.24 H new ATOM 0 HG2 GLN A 80 12.542 6.029 18.859 1.00 21.11 H new ATOM 0 HG3 GLN A 80 12.210 4.569 17.950 1.00 21.11 H new ATOM 0 HE21 GLN A 80 14.606 6.634 18.686 1.00 0.21 H new ATOM 0 HE22 GLN A 80 15.580 6.549 17.214 1.00 0.21 H new ATOM 1234 N VAL A 81 10.499 5.259 20.201 1.00 74.21 N ATOM 1235 CA VAL A 81 10.783 5.330 21.629 1.00 32.02 C ATOM 1236 C VAL A 81 12.081 4.607 21.968 1.00 63.51 C ATOM 1237 O VAL A 81 12.365 3.535 21.432 1.00 12.45 O ATOM 1238 CB VAL A 81 9.637 4.722 22.460 1.00 24.04 C ATOM 1239 CG1 VAL A 81 9.892 4.922 23.947 1.00 73.43 C ATOM 1240 CG2 VAL A 81 8.304 5.329 22.053 1.00 55.31 C ATOM 0 H VAL A 81 10.572 4.323 19.803 1.00 74.21 H new ATOM 0 HA VAL A 81 10.883 6.386 21.880 1.00 32.02 H new ATOM 0 HB VAL A 81 9.597 3.651 22.263 1.00 24.04 H new ATOM 0 HG11 VAL A 81 9.072 4.486 24.519 1.00 73.43 H new ATOM 0 HG12 VAL A 81 10.827 4.435 24.225 1.00 73.43 H new ATOM 0 HG13 VAL A 81 9.960 5.988 24.164 1.00 73.43 H new ATOM 0 HG21 VAL A 81 7.506 4.888 22.650 1.00 55.31 H new ATOM 0 HG22 VAL A 81 8.329 6.406 22.219 1.00 55.31 H new ATOM 0 HG23 VAL A 81 8.120 5.129 20.997 1.00 55.31 H new ATOM 1250 N ALA A 82 12.867 5.199 22.861 1.00 51.30 N ATOM 1251 CA ALA A 82 14.135 4.610 23.274 1.00 52.25 C ATOM 1252 C ALA A 82 14.009 3.936 24.636 1.00 65.05 C ATOM 1253 O ALA A 82 13.426 4.495 25.565 1.00 61.33 O ATOM 1254 CB ALA A 82 15.224 5.672 23.306 1.00 22.22 C ATOM 0 H ALA A 82 12.648 6.087 23.313 1.00 51.30 H new ATOM 0 HA ALA A 82 14.408 3.847 22.545 1.00 52.25 H new ATOM 0 HB1 ALA A 82 16.165 5.219 23.616 1.00 22.22 H new ATOM 0 HB2 ALA A 82 15.340 6.105 22.312 1.00 22.22 H new ATOM 0 HB3 ALA A 82 14.948 6.455 24.013 1.00 22.22 H new ATOM 1260 N PHE A 83 14.560 2.732 24.747 1.00 30.43 N ATOM 1261 CA PHE A 83 14.508 1.980 25.996 1.00 2.30 C ATOM 1262 C PHE A 83 15.907 1.795 26.577 1.00 32.25 C ATOM 1263 O PHE A 83 16.523 0.736 26.453 1.00 41.34 O ATOM 1264 CB PHE A 83 13.853 0.616 25.768 1.00 2.45 C ATOM 1265 CG PHE A 83 12.527 0.698 25.069 1.00 35.30 C ATOM 1266 CD1 PHE A 83 11.621 1.696 25.388 1.00 55.41 C ATOM 1267 CD2 PHE A 83 12.186 -0.224 24.092 1.00 34.04 C ATOM 1268 CE1 PHE A 83 10.399 1.773 24.746 1.00 32.03 C ATOM 1269 CE2 PHE A 83 10.965 -0.152 23.447 1.00 23.31 C ATOM 1270 CZ PHE A 83 10.071 0.848 23.774 1.00 43.31 C ATOM 0 H PHE A 83 15.047 2.256 23.988 1.00 30.43 H new ATOM 0 HA PHE A 83 13.910 2.547 26.709 1.00 2.30 H new ATOM 0 HB2 PHE A 83 14.527 -0.008 25.181 1.00 2.45 H new ATOM 0 HB3 PHE A 83 13.718 0.121 26.730 1.00 2.45 H new ATOM 0 HD1 PHE A 83 11.872 2.422 26.147 1.00 55.41 H new ATOM 0 HD2 PHE A 83 12.882 -1.008 23.831 1.00 34.04 H new ATOM 0 HE1 PHE A 83 9.701 2.556 25.004 1.00 32.03 H new ATOM 0 HE2 PHE A 83 10.711 -0.877 22.688 1.00 23.31 H new ATOM 0 HZ PHE A 83 9.117 0.907 23.271 1.00 43.31 H new ATOM 1280 N PRO A 84 16.421 2.849 27.228 1.00 31.25 N ATOM 1281 CA PRO A 84 17.752 2.828 27.842 1.00 31.24 C ATOM 1282 C PRO A 84 17.812 1.919 29.065 1.00 31.03 C ATOM 1283 O PRO A 84 17.104 2.138 30.049 1.00 61.23 O ATOM 1284 CB PRO A 84 17.978 4.286 28.248 1.00 4.23 C ATOM 1285 CG PRO A 84 16.610 4.848 28.421 1.00 55.31 C ATOM 1286 CD PRO A 84 15.742 4.142 27.416 1.00 42.11 C ATOM 0 HA PRO A 84 18.509 2.438 27.161 1.00 31.24 H new ATOM 0 HB2 PRO A 84 18.554 4.355 29.171 1.00 4.23 H new ATOM 0 HB3 PRO A 84 18.535 4.828 27.484 1.00 4.23 H new ATOM 0 HG2 PRO A 84 16.246 4.683 29.435 1.00 55.31 H new ATOM 0 HG3 PRO A 84 16.606 5.925 28.252 1.00 55.31 H new ATOM 0 HD2 PRO A 84 14.725 4.012 27.785 1.00 42.11 H new ATOM 0 HD3 PRO A 84 15.674 4.700 26.482 1.00 42.11 H new ATOM 1294 N TYR A 85 18.661 0.900 28.998 1.00 72.52 N ATOM 1295 CA TYR A 85 18.812 -0.044 30.099 1.00 15.23 C ATOM 1296 C TYR A 85 19.440 0.633 31.314 1.00 74.21 C ATOM 1297 O TYR A 85 20.196 1.594 31.181 1.00 51.42 O ATOM 1298 CB TYR A 85 19.668 -1.234 29.665 1.00 30.51 C ATOM 1299 CG TYR A 85 19.025 -2.083 28.592 1.00 61.52 C ATOM 1300 CD1 TYR A 85 17.643 -2.196 28.502 1.00 42.01 C ATOM 1301 CD2 TYR A 85 19.800 -2.772 27.667 1.00 71.43 C ATOM 1302 CE1 TYR A 85 17.052 -2.971 27.523 1.00 32.24 C ATOM 1303 CE2 TYR A 85 19.217 -3.549 26.684 1.00 41.33 C ATOM 1304 CZ TYR A 85 17.843 -3.645 26.617 1.00 72.44 C ATOM 1305 OH TYR A 85 17.257 -4.417 25.639 1.00 24.44 O ATOM 0 H TYR A 85 19.256 0.706 28.192 1.00 72.52 H new ATOM 0 HA TYR A 85 17.820 -0.401 30.376 1.00 15.23 H new ATOM 0 HB2 TYR A 85 20.627 -0.867 29.300 1.00 30.51 H new ATOM 0 HB3 TYR A 85 19.876 -1.858 30.534 1.00 30.51 H new ATOM 0 HD1 TYR A 85 17.020 -1.669 29.210 1.00 42.01 H new ATOM 0 HD2 TYR A 85 20.876 -2.699 27.717 1.00 71.43 H new ATOM 0 HE1 TYR A 85 15.976 -3.048 27.468 1.00 32.24 H new ATOM 0 HE2 TYR A 85 19.834 -4.078 25.973 1.00 41.33 H new ATOM 0 HH TYR A 85 17.411 -5.365 25.834 1.00 24.44 H new ATOM 1315 N ALA A 86 19.120 0.122 32.499 1.00 63.15 N ATOM 1316 CA ALA A 86 19.654 0.674 33.737 1.00 23.35 C ATOM 1317 C ALA A 86 20.447 -0.376 34.509 1.00 44.31 C ATOM 1318 O ALA A 86 20.954 -0.109 35.599 1.00 32.11 O ATOM 1319 CB ALA A 86 18.528 1.225 34.599 1.00 75.15 C ATOM 0 H ALA A 86 18.494 -0.673 32.627 1.00 63.15 H new ATOM 0 HA ALA A 86 20.332 1.488 33.480 1.00 23.35 H new ATOM 0 HB1 ALA A 86 18.942 1.634 35.521 1.00 75.15 H new ATOM 0 HB2 ALA A 86 18.005 2.012 34.055 1.00 75.15 H new ATOM 0 HB3 ALA A 86 17.829 0.424 34.840 1.00 75.15 H new ATOM 1325 N LYS A 87 20.551 -1.570 33.937 1.00 24.50 N ATOM 1326 CA LYS A 87 21.283 -2.661 34.570 1.00 22.21 C ATOM 1327 C LYS A 87 21.926 -3.565 33.523 1.00 41.11 C ATOM 1328 O LYS A 87 21.328 -3.853 32.486 1.00 3.54 O ATOM 1329 CB LYS A 87 20.347 -3.481 35.461 1.00 24.03 C ATOM 1330 CG LYS A 87 20.314 -3.009 36.905 1.00 54.25 C ATOM 1331 CD LYS A 87 21.549 -3.457 37.667 1.00 31.42 C ATOM 1332 CE LYS A 87 21.497 -4.944 37.987 1.00 44.42 C ATOM 1333 NZ LYS A 87 22.544 -5.336 38.970 1.00 4.03 N ATOM 0 H LYS A 87 20.137 -1.807 33.035 1.00 24.50 H new ATOM 0 HA LYS A 87 22.072 -2.227 35.184 1.00 22.21 H new ATOM 0 HB2 LYS A 87 19.338 -3.438 35.050 1.00 24.03 H new ATOM 0 HB3 LYS A 87 20.658 -4.526 35.436 1.00 24.03 H new ATOM 0 HG2 LYS A 87 20.244 -1.922 36.932 1.00 54.25 H new ATOM 0 HG3 LYS A 87 19.422 -3.398 37.396 1.00 54.25 H new ATOM 0 HD2 LYS A 87 22.440 -3.241 37.077 1.00 31.42 H new ATOM 0 HD3 LYS A 87 21.634 -2.887 38.592 1.00 31.42 H new ATOM 0 HE2 LYS A 87 20.514 -5.196 38.384 1.00 44.42 H new ATOM 0 HE3 LYS A 87 21.627 -5.518 37.069 1.00 44.42 H new ATOM 0 HZ1 LYS A 87 22.476 -6.356 39.162 1.00 4.03 H new ATOM 0 HZ2 LYS A 87 23.484 -5.119 38.581 1.00 4.03 H new ATOM 0 HZ3 LYS A 87 22.405 -4.807 39.855 1.00 4.03 H new ATOM 1347 N ALA A 88 23.147 -4.011 33.802 1.00 52.55 N ATOM 1348 CA ALA A 88 23.869 -4.884 32.885 1.00 33.41 C ATOM 1349 C ALA A 88 23.418 -6.333 33.039 1.00 64.23 C ATOM 1350 O ALA A 88 23.538 -6.920 34.114 1.00 22.51 O ATOM 1351 CB ALA A 88 25.368 -4.768 33.116 1.00 21.41 C ATOM 0 H ALA A 88 23.656 -3.782 34.656 1.00 52.55 H new ATOM 0 HA ALA A 88 23.645 -4.567 31.867 1.00 33.41 H new ATOM 0 HB1 ALA A 88 25.895 -5.425 32.424 1.00 21.41 H new ATOM 0 HB2 ALA A 88 25.683 -3.738 32.949 1.00 21.41 H new ATOM 0 HB3 ALA A 88 25.602 -5.057 34.141 1.00 21.41 H new ATOM 1357 N VAL A 89 22.899 -6.905 31.957 1.00 51.43 N ATOM 1358 CA VAL A 89 22.431 -8.285 31.971 1.00 32.34 C ATOM 1359 C VAL A 89 22.480 -8.897 30.576 1.00 61.12 C ATOM 1360 O VAL A 89 22.222 -8.221 29.581 1.00 72.32 O ATOM 1361 CB VAL A 89 20.992 -8.385 32.513 1.00 44.40 C ATOM 1362 CG1 VAL A 89 20.984 -8.279 34.030 1.00 4.13 C ATOM 1363 CG2 VAL A 89 20.114 -7.310 31.891 1.00 51.22 C ATOM 0 H VAL A 89 22.792 -6.433 31.059 1.00 51.43 H new ATOM 0 HA VAL A 89 23.099 -8.838 32.631 1.00 32.34 H new ATOM 0 HB VAL A 89 20.585 -9.359 32.239 1.00 44.40 H new ATOM 0 HG11 VAL A 89 19.959 -8.352 34.394 1.00 4.13 H new ATOM 0 HG12 VAL A 89 21.578 -9.088 34.454 1.00 4.13 H new ATOM 0 HG13 VAL A 89 21.409 -7.321 34.330 1.00 4.13 H new ATOM 0 HG21 VAL A 89 19.101 -7.395 32.285 1.00 51.22 H new ATOM 0 HG22 VAL A 89 20.516 -6.326 32.133 1.00 51.22 H new ATOM 0 HG23 VAL A 89 20.095 -7.437 30.809 1.00 51.22 H new ATOM 1373 N GLY A 90 22.814 -10.183 30.510 1.00 14.34 N ATOM 1374 CA GLY A 90 22.890 -10.865 29.232 1.00 45.01 C ATOM 1375 C GLY A 90 21.765 -11.861 29.038 1.00 75.03 C ATOM 1376 O GLY A 90 21.862 -12.763 28.206 1.00 4.13 O ATOM 0 H GLY A 90 23.033 -10.764 31.319 1.00 14.34 H new ATOM 0 HA2 GLY A 90 22.862 -10.129 28.429 1.00 45.01 H new ATOM 0 HA3 GLY A 90 23.846 -11.383 29.156 1.00 45.01 H new ATOM 1380 N GLU A 91 20.693 -11.699 29.808 1.00 42.31 N ATOM 1381 CA GLU A 91 19.546 -12.594 29.717 1.00 15.55 C ATOM 1382 C GLU A 91 18.433 -11.969 28.880 1.00 2.10 C ATOM 1383 O GLU A 91 18.398 -10.760 28.651 1.00 3.34 O ATOM 1384 CB GLU A 91 19.020 -12.928 31.115 1.00 1.01 C ATOM 1385 CG GLU A 91 19.474 -14.284 31.628 1.00 61.45 C ATOM 1386 CD GLU A 91 18.642 -14.775 32.796 1.00 11.14 C ATOM 1387 OE1 GLU A 91 17.514 -15.257 32.560 1.00 23.10 O ATOM 1388 OE2 GLU A 91 19.117 -14.676 33.947 1.00 64.42 O ATOM 0 H GLU A 91 20.595 -10.957 30.501 1.00 42.31 H new ATOM 0 HA GLU A 91 19.872 -13.513 29.229 1.00 15.55 H new ATOM 0 HB2 GLU A 91 19.349 -12.157 31.812 1.00 1.01 H new ATOM 0 HB3 GLU A 91 17.930 -12.901 31.100 1.00 1.01 H new ATOM 0 HG2 GLU A 91 19.420 -15.011 30.818 1.00 61.45 H new ATOM 0 HG3 GLU A 91 20.519 -14.222 31.932 1.00 61.45 H new ATOM 1395 N PRO A 92 17.502 -12.812 28.411 1.00 70.45 N ATOM 1396 CA PRO A 92 16.371 -12.367 27.591 1.00 1.52 C ATOM 1397 C PRO A 92 15.365 -11.545 28.390 1.00 50.12 C ATOM 1398 O PRO A 92 15.237 -11.711 29.603 1.00 11.10 O ATOM 1399 CB PRO A 92 15.737 -13.677 27.119 1.00 34.11 C ATOM 1400 CG PRO A 92 16.120 -14.678 28.154 1.00 42.12 C ATOM 1401 CD PRO A 92 17.481 -14.266 28.644 1.00 71.12 C ATOM 0 HA PRO A 92 16.689 -11.715 26.777 1.00 1.52 H new ATOM 0 HB2 PRO A 92 14.654 -13.586 27.038 1.00 34.11 H new ATOM 0 HB3 PRO A 92 16.107 -13.964 26.135 1.00 34.11 H new ATOM 0 HG2 PRO A 92 15.398 -14.691 28.971 1.00 42.12 H new ATOM 0 HG3 PRO A 92 16.144 -15.684 27.734 1.00 42.12 H new ATOM 0 HD2 PRO A 92 17.618 -14.506 29.698 1.00 71.12 H new ATOM 0 HD3 PRO A 92 18.276 -14.772 28.096 1.00 71.12 H new ATOM 1409 N TYR A 93 14.653 -10.659 27.702 1.00 70.20 N ATOM 1410 CA TYR A 93 13.659 -9.810 28.348 1.00 21.21 C ATOM 1411 C TYR A 93 12.370 -9.764 27.533 1.00 1.44 C ATOM 1412 O TYR A 93 12.343 -10.161 26.368 1.00 14.33 O ATOM 1413 CB TYR A 93 14.210 -8.395 28.534 1.00 73.23 C ATOM 1414 CG TYR A 93 15.427 -8.103 27.686 1.00 24.33 C ATOM 1415 CD1 TYR A 93 16.697 -8.483 28.105 1.00 33.12 C ATOM 1416 CD2 TYR A 93 15.309 -7.447 26.467 1.00 1.15 C ATOM 1417 CE1 TYR A 93 17.812 -8.218 27.335 1.00 43.03 C ATOM 1418 CE2 TYR A 93 16.419 -7.179 25.690 1.00 52.02 C ATOM 1419 CZ TYR A 93 17.668 -7.566 26.128 1.00 62.23 C ATOM 1420 OH TYR A 93 18.776 -7.300 25.357 1.00 43.25 O ATOM 0 H TYR A 93 14.746 -10.510 26.697 1.00 70.20 H new ATOM 0 HA TYR A 93 13.434 -10.236 29.326 1.00 21.21 H new ATOM 0 HB2 TYR A 93 13.428 -7.675 28.293 1.00 73.23 H new ATOM 0 HB3 TYR A 93 14.465 -8.249 29.584 1.00 73.23 H new ATOM 0 HD1 TYR A 93 16.813 -8.994 29.049 1.00 33.12 H new ATOM 0 HD2 TYR A 93 14.333 -7.141 26.121 1.00 1.15 H new ATOM 0 HE1 TYR A 93 18.791 -8.520 27.676 1.00 43.03 H new ATOM 0 HE2 TYR A 93 16.309 -6.669 24.744 1.00 52.02 H new ATOM 0 HH TYR A 93 18.501 -6.837 24.538 1.00 43.25 H new ATOM 1430 N LYS A 94 11.302 -9.275 28.155 1.00 5.51 N ATOM 1431 CA LYS A 94 10.009 -9.173 27.490 1.00 50.40 C ATOM 1432 C LYS A 94 9.717 -7.731 27.086 1.00 12.14 C ATOM 1433 O LYS A 94 10.041 -6.793 27.816 1.00 23.23 O ATOM 1434 CB LYS A 94 8.899 -9.692 28.406 1.00 12.25 C ATOM 1435 CG LYS A 94 7.730 -10.307 27.657 1.00 33.32 C ATOM 1436 CD LYS A 94 6.491 -9.430 27.739 1.00 64.54 C ATOM 1437 CE LYS A 94 5.221 -10.265 27.808 1.00 44.42 C ATOM 1438 NZ LYS A 94 4.349 -9.854 28.943 1.00 40.35 N ATOM 0 H LYS A 94 11.307 -8.943 29.119 1.00 5.51 H new ATOM 0 HA LYS A 94 10.043 -9.785 26.588 1.00 50.40 H new ATOM 0 HB2 LYS A 94 9.317 -10.436 29.084 1.00 12.25 H new ATOM 0 HB3 LYS A 94 8.533 -8.870 29.021 1.00 12.25 H new ATOM 0 HG2 LYS A 94 8.004 -10.455 26.612 1.00 33.32 H new ATOM 0 HG3 LYS A 94 7.509 -11.291 28.071 1.00 33.32 H new ATOM 0 HD2 LYS A 94 6.555 -8.789 28.619 1.00 64.54 H new ATOM 0 HD3 LYS A 94 6.450 -8.774 26.869 1.00 64.54 H new ATOM 0 HE2 LYS A 94 4.670 -10.167 26.873 1.00 44.42 H new ATOM 0 HE3 LYS A 94 5.484 -11.318 27.914 1.00 44.42 H new ATOM 0 HZ1 LYS A 94 3.494 -10.446 28.956 1.00 40.35 H new ATOM 0 HZ2 LYS A 94 4.866 -9.972 29.838 1.00 40.35 H new ATOM 0 HZ3 LYS A 94 4.077 -8.857 28.829 1.00 40.35 H new ATOM 1452 N LEU A 95 9.101 -7.561 25.922 1.00 45.45 N ATOM 1453 CA LEU A 95 8.764 -6.232 25.422 1.00 73.45 C ATOM 1454 C LEU A 95 7.252 -6.061 25.308 1.00 63.52 C ATOM 1455 O LEU A 95 6.531 -7.010 24.997 1.00 43.32 O ATOM 1456 CB LEU A 95 9.419 -5.997 24.060 1.00 40.25 C ATOM 1457 CG LEU A 95 9.387 -4.559 23.539 1.00 24.32 C ATOM 1458 CD1 LEU A 95 10.499 -4.334 22.526 1.00 53.12 C ATOM 1459 CD2 LEU A 95 8.031 -4.244 22.925 1.00 22.12 C ATOM 0 H LEU A 95 8.825 -8.326 25.306 1.00 45.45 H new ATOM 0 HA LEU A 95 9.142 -5.497 26.132 1.00 73.45 H new ATOM 0 HB2 LEU A 95 10.459 -6.318 24.119 1.00 40.25 H new ATOM 0 HB3 LEU A 95 8.929 -6.639 23.328 1.00 40.25 H new ATOM 0 HG LEU A 95 9.548 -3.884 24.380 1.00 24.32 H new ATOM 0 HD11 LEU A 95 10.461 -3.306 22.166 1.00 53.12 H new ATOM 0 HD12 LEU A 95 11.464 -4.518 22.998 1.00 53.12 H new ATOM 0 HD13 LEU A 95 10.370 -5.017 21.686 1.00 53.12 H new ATOM 0 HD21 LEU A 95 8.027 -3.217 22.560 1.00 22.12 H new ATOM 0 HD22 LEU A 95 7.840 -4.925 22.096 1.00 22.12 H new ATOM 0 HD23 LEU A 95 7.253 -4.364 23.679 1.00 22.12 H new ATOM 1471 N VAL A 96 6.779 -4.845 25.560 1.00 72.30 N ATOM 1472 CA VAL A 96 5.353 -4.549 25.483 1.00 44.43 C ATOM 1473 C VAL A 96 5.107 -3.208 24.800 1.00 43.10 C ATOM 1474 O VAL A 96 5.478 -2.156 25.322 1.00 44.43 O ATOM 1475 CB VAL A 96 4.708 -4.526 26.881 1.00 21.31 C ATOM 1476 CG1 VAL A 96 3.196 -4.399 26.770 1.00 45.21 C ATOM 1477 CG2 VAL A 96 5.090 -5.774 27.664 1.00 41.43 C ATOM 0 H VAL A 96 7.362 -4.049 25.819 1.00 72.30 H new ATOM 0 HA VAL A 96 4.896 -5.344 24.893 1.00 44.43 H new ATOM 0 HB VAL A 96 5.083 -3.656 27.421 1.00 21.31 H new ATOM 0 HG11 VAL A 96 2.758 -4.384 27.768 1.00 45.21 H new ATOM 0 HG12 VAL A 96 2.946 -3.474 26.250 1.00 45.21 H new ATOM 0 HG13 VAL A 96 2.800 -5.247 26.212 1.00 45.21 H new ATOM 0 HG21 VAL A 96 4.626 -5.741 28.650 1.00 41.43 H new ATOM 0 HG22 VAL A 96 4.745 -6.659 27.129 1.00 41.43 H new ATOM 0 HG23 VAL A 96 6.174 -5.817 27.775 1.00 41.43 H new ATOM 1487 N LEU A 97 4.479 -3.252 23.630 1.00 31.55 N ATOM 1488 CA LEU A 97 4.182 -2.040 22.875 1.00 72.51 C ATOM 1489 C LEU A 97 2.676 -1.848 22.725 1.00 42.24 C ATOM 1490 O LEU A 97 1.943 -2.796 22.441 1.00 14.51 O ATOM 1491 CB LEU A 97 4.840 -2.102 21.495 1.00 12.23 C ATOM 1492 CG LEU A 97 5.950 -1.083 21.235 1.00 14.41 C ATOM 1493 CD1 LEU A 97 5.396 0.333 21.282 1.00 0.04 C ATOM 1494 CD2 LEU A 97 7.076 -1.251 22.245 1.00 73.04 C ATOM 0 H LEU A 97 4.166 -4.114 23.184 1.00 31.55 H new ATOM 0 HA LEU A 97 4.585 -1.190 23.425 1.00 72.51 H new ATOM 0 HB2 LEU A 97 5.252 -3.102 21.355 1.00 12.23 H new ATOM 0 HB3 LEU A 97 4.066 -1.967 20.739 1.00 12.23 H new ATOM 0 HG LEU A 97 6.354 -1.261 20.238 1.00 14.41 H new ATOM 0 HD11 LEU A 97 6.200 1.045 21.095 1.00 0.04 H new ATOM 0 HD12 LEU A 97 4.625 0.448 20.520 1.00 0.04 H new ATOM 0 HD13 LEU A 97 4.965 0.523 22.265 1.00 0.04 H new ATOM 0 HD21 LEU A 97 7.857 -0.518 22.045 1.00 73.04 H new ATOM 0 HD22 LEU A 97 6.687 -1.101 23.252 1.00 73.04 H new ATOM 0 HD23 LEU A 97 7.492 -2.255 22.163 1.00 73.04 H new ATOM 1506 N THR A 98 2.221 -0.613 22.915 1.00 73.25 N ATOM 1507 CA THR A 98 0.803 -0.295 22.799 1.00 21.44 C ATOM 1508 C THR A 98 0.590 0.988 22.005 1.00 2.32 C ATOM 1509 O THR A 98 1.145 2.035 22.339 1.00 43.43 O ATOM 1510 CB THR A 98 0.147 -0.143 24.185 1.00 61.23 C ATOM 1511 OG1 THR A 98 0.668 -1.128 25.084 1.00 5.34 O ATOM 1512 CG2 THR A 98 -1.364 -0.288 24.087 1.00 70.03 C ATOM 0 H THR A 98 2.814 0.183 23.150 1.00 73.25 H new ATOM 0 HA THR A 98 0.335 -1.126 22.272 1.00 21.44 H new ATOM 0 HB THR A 98 0.377 0.853 24.564 1.00 61.23 H new ATOM 0 HG1 THR A 98 0.247 -1.024 25.963 1.00 5.34 H new ATOM 0 HG21 THR A 98 -1.805 -0.177 25.078 1.00 70.03 H new ATOM 0 HG22 THR A 98 -1.761 0.481 23.425 1.00 70.03 H new ATOM 0 HG23 THR A 98 -1.610 -1.272 23.689 1.00 70.03 H new ATOM 1520 N TYR A 99 -0.217 0.901 20.954 1.00 61.22 N ATOM 1521 CA TYR A 99 -0.502 2.056 20.111 1.00 62.22 C ATOM 1522 C TYR A 99 -2.004 2.302 20.013 1.00 33.14 C ATOM 1523 O TYR A 99 -2.789 1.365 19.871 1.00 31.30 O ATOM 1524 CB TYR A 99 0.084 1.850 18.713 1.00 42.21 C ATOM 1525 CG TYR A 99 0.991 0.645 18.608 1.00 61.12 C ATOM 1526 CD1 TYR A 99 2.343 0.739 18.916 1.00 51.54 C ATOM 1527 CD2 TYR A 99 0.497 -0.588 18.200 1.00 51.20 C ATOM 1528 CE1 TYR A 99 3.176 -0.359 18.820 1.00 14.24 C ATOM 1529 CE2 TYR A 99 1.322 -1.692 18.103 1.00 11.44 C ATOM 1530 CZ TYR A 99 2.660 -1.572 18.414 1.00 23.14 C ATOM 1531 OH TYR A 99 3.486 -2.669 18.318 1.00 13.10 O ATOM 0 H TYR A 99 -0.686 0.042 20.665 1.00 61.22 H new ATOM 0 HA TYR A 99 -0.038 2.930 20.568 1.00 62.22 H new ATOM 0 HB2 TYR A 99 -0.732 1.743 17.998 1.00 42.21 H new ATOM 0 HB3 TYR A 99 0.643 2.741 18.428 1.00 42.21 H new ATOM 0 HD1 TYR A 99 2.750 1.687 19.236 1.00 51.54 H new ATOM 0 HD2 TYR A 99 -0.550 -0.685 17.954 1.00 51.20 H new ATOM 0 HE1 TYR A 99 4.225 -0.268 19.061 1.00 14.24 H new ATOM 0 HE2 TYR A 99 0.921 -2.643 17.785 1.00 11.44 H new ATOM 0 HH TYR A 99 4.398 -2.415 18.572 1.00 13.10 H new ATOM 1541 N GLN A 100 -2.396 3.570 20.091 1.00 61.42 N ATOM 1542 CA GLN A 100 -3.804 3.940 20.012 1.00 60.13 C ATOM 1543 C GLN A 100 -3.963 5.376 19.524 1.00 5.44 C ATOM 1544 O GLN A 100 -3.393 6.304 20.099 1.00 72.45 O ATOM 1545 CB GLN A 100 -4.474 3.775 21.377 1.00 61.01 C ATOM 1546 CG GLN A 100 -5.974 4.018 21.352 1.00 53.24 C ATOM 1547 CD GLN A 100 -6.609 3.891 22.722 1.00 34.42 C ATOM 1548 OE1 GLN A 100 -5.915 3.774 23.732 1.00 30.05 O ATOM 1549 NE2 GLN A 100 -7.936 3.912 22.764 1.00 14.24 N ATOM 0 H GLN A 100 -1.759 4.358 20.209 1.00 61.42 H new ATOM 0 HA GLN A 100 -4.288 3.277 19.295 1.00 60.13 H new ATOM 0 HB2 GLN A 100 -4.284 2.767 21.746 1.00 61.01 H new ATOM 0 HB3 GLN A 100 -4.014 4.466 22.084 1.00 61.01 H new ATOM 0 HG2 GLN A 100 -6.170 5.014 20.956 1.00 53.24 H new ATOM 0 HG3 GLN A 100 -6.442 3.307 20.672 1.00 53.24 H new ATOM 0 HE21 GLN A 100 -8.472 4.011 21.902 1.00 14.24 H new ATOM 0 HE22 GLN A 100 -8.419 3.829 23.658 1.00 14.24 H new ATOM 1558 N GLY A 101 -4.740 5.553 18.461 1.00 74.04 N ATOM 1559 CA GLY A 101 -4.959 6.879 17.914 1.00 53.24 C ATOM 1560 C GLY A 101 -6.268 6.985 17.155 1.00 4.04 C ATOM 1561 O GLY A 101 -7.165 6.162 17.335 1.00 52.01 O ATOM 0 H GLY A 101 -5.222 4.801 17.968 1.00 74.04 H new ATOM 0 HA2 GLY A 101 -4.952 7.608 18.724 1.00 53.24 H new ATOM 0 HA3 GLY A 101 -4.135 7.135 17.248 1.00 53.24 H new ATOM 1565 N SER A 102 -6.377 8.002 16.307 1.00 53.14 N ATOM 1566 CA SER A 102 -7.588 8.216 15.522 1.00 20.04 C ATOM 1567 C SER A 102 -7.244 8.641 14.098 1.00 75.20 C ATOM 1568 O SER A 102 -6.096 8.961 13.794 1.00 62.10 O ATOM 1569 CB SER A 102 -8.469 9.277 16.185 1.00 71.13 C ATOM 1570 OG SER A 102 -9.657 8.703 16.703 1.00 64.42 O ATOM 0 H SER A 102 -5.642 8.691 16.145 1.00 53.14 H new ATOM 0 HA SER A 102 -8.135 7.274 15.479 1.00 20.04 H new ATOM 0 HB2 SER A 102 -7.916 9.763 16.989 1.00 71.13 H new ATOM 0 HB3 SER A 102 -8.721 10.050 15.459 1.00 71.13 H new ATOM 0 HG SER A 102 -10.308 8.590 15.979 1.00 64.42 H new ATOM 1576 N ALA A 103 -8.250 8.641 13.229 1.00 63.14 N ATOM 1577 CA ALA A 103 -8.056 9.028 11.837 1.00 61.23 C ATOM 1578 C ALA A 103 -8.418 10.493 11.619 1.00 74.14 C ATOM 1579 O ALA A 103 -9.430 10.973 12.128 1.00 0.43 O ATOM 1580 CB ALA A 103 -8.881 8.136 10.921 1.00 34.12 C ATOM 0 H ALA A 103 -9.207 8.377 13.464 1.00 63.14 H new ATOM 0 HA ALA A 103 -7.001 8.902 11.594 1.00 61.23 H new ATOM 0 HB1 ALA A 103 -8.726 8.436 9.885 1.00 34.12 H new ATOM 0 HB2 ALA A 103 -8.572 7.099 11.048 1.00 34.12 H new ATOM 0 HB3 ALA A 103 -9.937 8.233 11.173 1.00 34.12 H new ATOM 1586 N GLU A 104 -7.585 11.197 10.859 1.00 52.11 N ATOM 1587 CA GLU A 104 -7.819 12.608 10.576 1.00 44.43 C ATOM 1588 C GLU A 104 -9.189 12.816 9.936 1.00 24.33 C ATOM 1589 O GLU A 104 -9.757 13.905 10.001 1.00 13.04 O ATOM 1590 CB GLU A 104 -6.726 13.154 9.654 1.00 2.02 C ATOM 1591 CG GLU A 104 -6.566 12.365 8.366 1.00 60.23 C ATOM 1592 CD GLU A 104 -7.393 12.931 7.228 1.00 15.22 C ATOM 1593 OE1 GLU A 104 -7.197 14.115 6.883 1.00 60.11 O ATOM 1594 OE2 GLU A 104 -8.238 12.190 6.683 1.00 22.53 O ATOM 0 H GLU A 104 -6.743 10.814 10.429 1.00 52.11 H new ATOM 0 HA GLU A 104 -7.793 13.150 11.521 1.00 44.43 H new ATOM 0 HB2 GLU A 104 -6.954 14.191 9.409 1.00 2.02 H new ATOM 0 HB3 GLU A 104 -5.777 13.154 10.190 1.00 2.02 H new ATOM 0 HG2 GLU A 104 -5.515 12.357 8.077 1.00 60.23 H new ATOM 0 HG3 GLU A 104 -6.856 11.329 8.541 1.00 60.23 H new ATOM 1601 N ALA A 105 -9.712 11.762 9.318 1.00 10.00 N ATOM 1602 CA ALA A 105 -11.015 11.827 8.668 1.00 10.20 C ATOM 1603 C ALA A 105 -12.137 11.919 9.696 1.00 14.31 C ATOM 1604 O ALA A 105 -13.198 12.480 9.423 1.00 2.44 O ATOM 1605 CB ALA A 105 -11.218 10.616 7.770 1.00 43.14 C ATOM 0 H ALA A 105 -9.253 10.853 9.254 1.00 10.00 H new ATOM 0 HA ALA A 105 -11.043 12.728 8.056 1.00 10.20 H new ATOM 0 HB1 ALA A 105 -12.195 10.678 7.291 1.00 43.14 H new ATOM 0 HB2 ALA A 105 -10.440 10.595 7.006 1.00 43.14 H new ATOM 0 HB3 ALA A 105 -11.164 9.706 8.368 1.00 43.14 H new ATOM 1611 N GLY A 106 -11.897 11.364 10.880 1.00 62.41 N ATOM 1612 CA GLY A 106 -12.897 11.393 11.931 1.00 54.44 C ATOM 1613 C GLY A 106 -13.303 10.005 12.385 1.00 40.25 C ATOM 1614 O GLY A 106 -14.491 9.711 12.521 1.00 65.34 O ATOM 0 H GLY A 106 -11.027 10.894 11.130 1.00 62.41 H new ATOM 0 HA2 GLY A 106 -12.508 11.951 12.783 1.00 54.44 H new ATOM 0 HA3 GLY A 106 -13.778 11.927 11.575 1.00 54.44 H new ATOM 1618 N VAL A 107 -12.314 9.148 12.618 1.00 10.23 N ATOM 1619 CA VAL A 107 -12.574 7.783 13.059 1.00 22.10 C ATOM 1620 C VAL A 107 -11.772 7.448 14.312 1.00 61.24 C ATOM 1621 O VAL A 107 -10.617 7.854 14.449 1.00 72.22 O ATOM 1622 CB VAL A 107 -12.233 6.763 11.956 1.00 31.24 C ATOM 1623 CG1 VAL A 107 -12.317 5.344 12.497 1.00 35.42 C ATOM 1624 CG2 VAL A 107 -13.157 6.942 10.761 1.00 3.51 C ATOM 0 H VAL A 107 -11.326 9.375 12.509 1.00 10.23 H new ATOM 0 HA VAL A 107 -13.638 7.720 13.285 1.00 22.10 H new ATOM 0 HB VAL A 107 -11.210 6.940 11.625 1.00 31.24 H new ATOM 0 HG11 VAL A 107 -12.073 4.637 11.704 1.00 35.42 H new ATOM 0 HG12 VAL A 107 -11.611 5.225 13.319 1.00 35.42 H new ATOM 0 HG13 VAL A 107 -13.328 5.151 12.857 1.00 35.42 H new ATOM 0 HG21 VAL A 107 -12.902 6.213 9.991 1.00 3.51 H new ATOM 0 HG22 VAL A 107 -14.190 6.792 11.074 1.00 3.51 H new ATOM 0 HG23 VAL A 107 -13.042 7.949 10.360 1.00 3.51 H new ATOM 1634 N CYS A 108 -12.391 6.705 15.222 1.00 22.22 N ATOM 1635 CA CYS A 108 -11.735 6.315 16.465 1.00 24.51 C ATOM 1636 C CYS A 108 -11.693 4.796 16.605 1.00 50.35 C ATOM 1637 O CYS A 108 -12.733 4.138 16.652 1.00 43.31 O ATOM 1638 CB CYS A 108 -12.459 6.929 17.663 1.00 11.34 C ATOM 1639 SG CYS A 108 -11.562 6.777 19.226 1.00 51.11 S ATOM 0 H CYS A 108 -13.346 6.360 15.123 1.00 22.22 H new ATOM 0 HA CYS A 108 -10.711 6.688 16.438 1.00 24.51 H new ATOM 0 HB2 CYS A 108 -12.640 7.985 17.462 1.00 11.34 H new ATOM 0 HB3 CYS A 108 -13.434 6.452 17.768 1.00 11.34 H new ATOM 0 HG CYS A 108 -12.254 7.328 20.179 1.00 51.11 H new ATOM 1645 N TYR A 109 -10.486 4.246 16.668 1.00 4.31 N ATOM 1646 CA TYR A 109 -10.308 2.805 16.798 1.00 72.12 C ATOM 1647 C TYR A 109 -9.763 2.445 18.176 1.00 24.13 C ATOM 1648 O TYR A 109 -9.169 3.269 18.872 1.00 11.22 O ATOM 1649 CB TYR A 109 -9.364 2.286 15.712 1.00 41.40 C ATOM 1650 CG TYR A 109 -8.228 3.233 15.395 1.00 72.22 C ATOM 1651 CD1 TYR A 109 -8.402 4.283 14.502 1.00 4.32 C ATOM 1652 CD2 TYR A 109 -6.982 3.077 15.989 1.00 63.02 C ATOM 1653 CE1 TYR A 109 -7.366 5.150 14.209 1.00 35.20 C ATOM 1654 CE2 TYR A 109 -5.941 3.940 15.703 1.00 72.44 C ATOM 1655 CZ TYR A 109 -6.138 4.974 14.812 1.00 74.02 C ATOM 1656 OH TYR A 109 -5.105 5.836 14.523 1.00 31.15 O ATOM 0 H TYR A 109 -9.616 4.777 16.631 1.00 4.31 H new ATOM 0 HA TYR A 109 -11.283 2.332 16.678 1.00 72.12 H new ATOM 0 HB2 TYR A 109 -8.950 1.329 16.029 1.00 41.40 H new ATOM 0 HB3 TYR A 109 -9.936 2.101 14.803 1.00 41.40 H new ATOM 0 HD1 TYR A 109 -9.363 4.424 14.029 1.00 4.32 H new ATOM 0 HD2 TYR A 109 -6.824 2.267 16.686 1.00 63.02 H new ATOM 0 HE1 TYR A 109 -7.517 5.961 13.512 1.00 35.20 H new ATOM 0 HE2 TYR A 109 -4.979 3.805 16.175 1.00 72.44 H new ATOM 0 HH TYR A 109 -5.205 6.170 13.607 1.00 31.15 H new ATOM 1666 N PRO A 110 -9.967 1.183 18.581 1.00 33.33 N ATOM 1667 CA PRO A 110 -9.503 0.683 19.879 1.00 72.42 C ATOM 1668 C PRO A 110 -7.985 0.561 19.944 1.00 64.24 C ATOM 1669 O PRO A 110 -7.291 0.596 18.927 1.00 70.20 O ATOM 1670 CB PRO A 110 -10.155 -0.699 19.980 1.00 12.43 C ATOM 1671 CG PRO A 110 -10.380 -1.116 18.568 1.00 20.20 C ATOM 1672 CD PRO A 110 -10.667 0.146 17.804 1.00 51.54 C ATOM 0 HA PRO A 110 -9.769 1.356 20.694 1.00 72.42 H new ATOM 0 HB2 PRO A 110 -9.509 -1.404 20.503 1.00 12.43 H new ATOM 0 HB3 PRO A 110 -11.093 -0.655 20.534 1.00 12.43 H new ATOM 0 HG2 PRO A 110 -9.503 -1.624 18.167 1.00 20.20 H new ATOM 0 HG3 PRO A 110 -11.214 -1.814 18.496 1.00 20.20 H new ATOM 0 HD2 PRO A 110 -10.294 0.090 16.781 1.00 51.54 H new ATOM 0 HD3 PRO A 110 -11.737 0.344 17.743 1.00 51.54 H new ATOM 1680 N PRO A 111 -7.454 0.414 21.166 1.00 24.15 N ATOM 1681 CA PRO A 111 -6.011 0.283 21.393 1.00 71.14 C ATOM 1682 C PRO A 111 -5.464 -1.048 20.888 1.00 43.11 C ATOM 1683 O PRO A 111 -6.178 -2.050 20.848 1.00 12.43 O ATOM 1684 CB PRO A 111 -5.881 0.372 22.915 1.00 33.42 C ATOM 1685 CG PRO A 111 -7.202 -0.082 23.435 1.00 2.31 C ATOM 1686 CD PRO A 111 -8.220 0.364 22.423 1.00 74.34 C ATOM 0 HA PRO A 111 -5.443 1.045 20.859 1.00 71.14 H new ATOM 0 HB2 PRO A 111 -5.073 -0.261 23.281 1.00 33.42 H new ATOM 0 HB3 PRO A 111 -5.658 1.390 23.235 1.00 33.42 H new ATOM 0 HG2 PRO A 111 -7.222 -1.165 23.558 1.00 2.31 H new ATOM 0 HG3 PRO A 111 -7.407 0.353 24.413 1.00 2.31 H new ATOM 0 HD2 PRO A 111 -9.054 -0.335 22.358 1.00 74.34 H new ATOM 0 HD3 PRO A 111 -8.639 1.338 22.677 1.00 74.34 H new ATOM 1694 N VAL A 112 -4.191 -1.051 20.503 1.00 33.51 N ATOM 1695 CA VAL A 112 -3.548 -2.260 20.002 1.00 5.03 C ATOM 1696 C VAL A 112 -2.313 -2.607 20.827 1.00 34.42 C ATOM 1697 O VAL A 112 -1.317 -1.884 20.808 1.00 54.00 O ATOM 1698 CB VAL A 112 -3.138 -2.107 18.525 1.00 1.25 C ATOM 1699 CG1 VAL A 112 -2.661 -3.437 17.963 1.00 72.13 C ATOM 1700 CG2 VAL A 112 -4.295 -1.556 17.706 1.00 34.13 C ATOM 0 H VAL A 112 -3.586 -0.230 20.529 1.00 33.51 H new ATOM 0 HA VAL A 112 -4.277 -3.065 20.087 1.00 5.03 H new ATOM 0 HB VAL A 112 -2.312 -1.398 18.466 1.00 1.25 H new ATOM 0 HG11 VAL A 112 -2.376 -3.309 16.919 1.00 72.13 H new ATOM 0 HG12 VAL A 112 -1.801 -3.786 18.534 1.00 72.13 H new ATOM 0 HG13 VAL A 112 -3.464 -4.170 18.033 1.00 72.13 H new ATOM 0 HG21 VAL A 112 -3.988 -1.454 16.665 1.00 34.13 H new ATOM 0 HG22 VAL A 112 -5.143 -2.238 17.769 1.00 34.13 H new ATOM 0 HG23 VAL A 112 -4.585 -0.580 18.096 1.00 34.13 H new ATOM 1710 N ASP A 113 -2.386 -3.719 21.551 1.00 71.13 N ATOM 1711 CA ASP A 113 -1.274 -4.164 22.382 1.00 22.40 C ATOM 1712 C ASP A 113 -0.493 -5.279 21.693 1.00 30.54 C ATOM 1713 O ASP A 113 -1.077 -6.202 21.124 1.00 55.10 O ATOM 1714 CB ASP A 113 -1.786 -4.647 23.740 1.00 4.12 C ATOM 1715 CG ASP A 113 -2.660 -5.880 23.625 1.00 62.14 C ATOM 1716 OD1 ASP A 113 -3.883 -5.724 23.428 1.00 42.50 O ATOM 1717 OD2 ASP A 113 -2.121 -7.002 23.732 1.00 51.12 O ATOM 0 H ASP A 113 -3.204 -4.328 21.579 1.00 71.13 H new ATOM 0 HA ASP A 113 -0.605 -3.317 22.535 1.00 22.40 H new ATOM 0 HB2 ASP A 113 -0.937 -4.866 24.388 1.00 4.12 H new ATOM 0 HB3 ASP A 113 -2.353 -3.847 24.217 1.00 4.12 H new ATOM 1722 N THR A 114 0.832 -5.188 21.748 1.00 22.21 N ATOM 1723 CA THR A 114 1.693 -6.187 21.128 1.00 63.20 C ATOM 1724 C THR A 114 2.999 -6.342 21.899 1.00 20.52 C ATOM 1725 O THR A 114 3.741 -5.378 22.082 1.00 54.33 O ATOM 1726 CB THR A 114 2.014 -5.823 19.666 1.00 0.11 C ATOM 1727 OG1 THR A 114 1.454 -4.545 19.346 1.00 51.44 O ATOM 1728 CG2 THR A 114 1.467 -6.875 18.714 1.00 72.24 C ATOM 0 H THR A 114 1.332 -4.432 22.216 1.00 22.21 H new ATOM 0 HA THR A 114 1.147 -7.130 21.149 1.00 63.20 H new ATOM 0 HB THR A 114 3.097 -5.783 19.554 1.00 0.11 H new ATOM 0 HG1 THR A 114 2.160 -3.953 19.011 1.00 51.44 H new ATOM 0 HG21 THR A 114 1.706 -6.596 17.688 1.00 72.24 H new ATOM 0 HG22 THR A 114 1.917 -7.841 18.942 1.00 72.24 H new ATOM 0 HG23 THR A 114 0.385 -6.943 18.829 1.00 72.24 H new ATOM 1736 N GLU A 115 3.274 -7.563 22.349 1.00 52.10 N ATOM 1737 CA GLU A 115 4.491 -7.843 23.101 1.00 63.00 C ATOM 1738 C GLU A 115 5.516 -8.563 22.229 1.00 31.20 C ATOM 1739 O GLU A 115 5.163 -9.408 21.406 1.00 53.34 O ATOM 1740 CB GLU A 115 4.172 -8.689 24.335 1.00 14.45 C ATOM 1741 CG GLU A 115 3.474 -7.913 25.440 1.00 32.33 C ATOM 1742 CD GLU A 115 2.025 -7.607 25.113 1.00 62.21 C ATOM 1743 OE1 GLU A 115 1.152 -8.432 25.454 1.00 62.34 O ATOM 1744 OE2 GLU A 115 1.765 -6.542 24.516 1.00 40.52 O ATOM 0 H GLU A 115 2.671 -8.373 22.206 1.00 52.10 H new ATOM 0 HA GLU A 115 4.916 -6.892 23.422 1.00 63.00 H new ATOM 0 HB2 GLU A 115 3.542 -9.528 24.038 1.00 14.45 H new ATOM 0 HB3 GLU A 115 5.098 -9.109 24.727 1.00 14.45 H new ATOM 0 HG2 GLU A 115 3.520 -8.486 26.366 1.00 32.33 H new ATOM 0 HG3 GLU A 115 4.008 -6.979 25.616 1.00 32.33 H new ATOM 1751 N PHE A 116 6.787 -8.223 22.416 1.00 53.42 N ATOM 1752 CA PHE A 116 7.863 -8.835 21.646 1.00 43.31 C ATOM 1753 C PHE A 116 8.883 -9.497 22.568 1.00 72.10 C ATOM 1754 O PHE A 116 9.383 -8.876 23.506 1.00 62.12 O ATOM 1755 CB PHE A 116 8.555 -7.786 20.773 1.00 53.44 C ATOM 1756 CG PHE A 116 7.608 -7.016 19.897 1.00 74.00 C ATOM 1757 CD1 PHE A 116 6.705 -7.678 19.080 1.00 21.14 C ATOM 1758 CD2 PHE A 116 7.620 -5.631 19.890 1.00 2.51 C ATOM 1759 CE1 PHE A 116 5.832 -6.973 18.274 1.00 52.04 C ATOM 1760 CE2 PHE A 116 6.749 -4.920 19.086 1.00 61.11 C ATOM 1761 CZ PHE A 116 5.855 -5.592 18.276 1.00 72.13 C ATOM 0 H PHE A 116 7.097 -7.527 23.094 1.00 53.42 H new ATOM 0 HA PHE A 116 7.427 -9.601 21.005 1.00 43.31 H new ATOM 0 HB2 PHE A 116 9.093 -7.088 21.415 1.00 53.44 H new ATOM 0 HB3 PHE A 116 9.298 -8.279 20.146 1.00 53.44 H new ATOM 0 HD1 PHE A 116 6.684 -8.758 19.073 1.00 21.14 H new ATOM 0 HD2 PHE A 116 8.318 -5.100 20.520 1.00 2.51 H new ATOM 0 HE1 PHE A 116 5.132 -7.501 17.643 1.00 52.04 H new ATOM 0 HE2 PHE A 116 6.768 -3.840 19.091 1.00 61.11 H new ATOM 0 HZ PHE A 116 5.175 -5.039 17.645 1.00 72.13 H new ATOM 1771 N ASP A 117 9.185 -10.761 22.294 1.00 31.45 N ATOM 1772 CA ASP A 117 10.145 -11.509 23.098 1.00 32.32 C ATOM 1773 C ASP A 117 11.569 -11.273 22.604 1.00 55.21 C ATOM 1774 O ASP A 117 11.931 -11.690 21.503 1.00 10.43 O ATOM 1775 CB ASP A 117 9.820 -13.003 23.060 1.00 70.41 C ATOM 1776 CG ASP A 117 8.388 -13.295 23.464 1.00 62.11 C ATOM 1777 OD1 ASP A 117 7.971 -12.833 24.547 1.00 60.41 O ATOM 1778 OD2 ASP A 117 7.684 -13.984 22.697 1.00 64.34 O ATOM 0 H ASP A 117 8.779 -11.289 21.522 1.00 31.45 H new ATOM 0 HA ASP A 117 10.073 -11.155 24.127 1.00 32.32 H new ATOM 0 HB2 ASP A 117 9.996 -13.384 22.054 1.00 70.41 H new ATOM 0 HB3 ASP A 117 10.498 -13.536 23.726 1.00 70.41 H new ATOM 1783 N ILE A 118 12.370 -10.601 23.424 1.00 60.14 N ATOM 1784 CA ILE A 118 13.753 -10.309 23.069 1.00 25.43 C ATOM 1785 C ILE A 118 14.697 -11.379 23.610 1.00 14.43 C ATOM 1786 O ILE A 118 14.702 -11.669 24.807 1.00 61.33 O ATOM 1787 CB ILE A 118 14.194 -8.934 23.605 1.00 73.14 C ATOM 1788 CG1 ILE A 118 13.102 -7.892 23.354 1.00 10.32 C ATOM 1789 CG2 ILE A 118 15.501 -8.506 22.954 1.00 20.45 C ATOM 1790 CD1 ILE A 118 12.778 -7.696 21.890 1.00 42.43 C ATOM 0 H ILE A 118 12.085 -10.249 24.338 1.00 60.14 H new ATOM 0 HA ILE A 118 13.804 -10.299 21.980 1.00 25.43 H new ATOM 0 HB ILE A 118 14.355 -9.014 24.680 1.00 73.14 H new ATOM 0 HG12 ILE A 118 12.196 -8.193 23.881 1.00 10.32 H new ATOM 0 HG13 ILE A 118 13.416 -6.939 23.779 1.00 10.32 H new ATOM 0 HG21 ILE A 118 15.800 -7.533 23.343 1.00 20.45 H new ATOM 0 HG22 ILE A 118 16.276 -9.239 23.177 1.00 20.45 H new ATOM 0 HG23 ILE A 118 15.365 -8.439 21.875 1.00 20.45 H new ATOM 0 HD11 ILE A 118 11.996 -6.944 21.788 1.00 42.43 H new ATOM 0 HD12 ILE A 118 13.672 -7.365 21.361 1.00 42.43 H new ATOM 0 HD13 ILE A 118 12.433 -8.638 21.464 1.00 42.43 H new ATOM 1802 N PHE A 119 15.495 -11.960 22.721 1.00 21.13 N ATOM 1803 CA PHE A 119 16.444 -12.997 23.109 1.00 22.02 C ATOM 1804 C PHE A 119 17.603 -13.071 22.119 1.00 21.44 C ATOM 1805 O PHE A 119 18.193 -14.132 21.916 1.00 51.32 O ATOM 1806 CB PHE A 119 15.743 -14.354 23.194 1.00 71.34 C ATOM 1807 CG PHE A 119 14.671 -14.540 22.159 1.00 74.44 C ATOM 1808 CD1 PHE A 119 14.921 -14.262 20.825 1.00 52.43 C ATOM 1809 CD2 PHE A 119 13.412 -14.994 22.520 1.00 50.33 C ATOM 1810 CE1 PHE A 119 13.936 -14.432 19.870 1.00 64.15 C ATOM 1811 CE2 PHE A 119 12.424 -15.166 21.569 1.00 32.50 C ATOM 1812 CZ PHE A 119 12.686 -14.884 20.243 1.00 71.24 C ATOM 0 H PHE A 119 15.504 -11.731 21.727 1.00 21.13 H new ATOM 0 HA PHE A 119 16.843 -12.741 24.090 1.00 22.02 H new ATOM 0 HB2 PHE A 119 16.485 -15.145 23.083 1.00 71.34 H new ATOM 0 HB3 PHE A 119 15.303 -14.466 24.185 1.00 71.34 H new ATOM 0 HD1 PHE A 119 15.897 -13.908 20.528 1.00 52.43 H new ATOM 0 HD2 PHE A 119 13.201 -15.216 23.556 1.00 50.33 H new ATOM 0 HE1 PHE A 119 14.144 -14.211 18.833 1.00 64.15 H new ATOM 0 HE2 PHE A 119 11.447 -15.521 21.863 1.00 32.50 H new ATOM 0 HZ PHE A 119 11.914 -15.017 19.499 1.00 71.24 H new ATOM 1822 N GLY A 120 17.923 -11.936 21.506 1.00 64.24 N ATOM 1823 CA GLY A 120 19.009 -11.894 20.544 1.00 43.41 C ATOM 1824 C GLY A 120 18.524 -12.034 19.115 1.00 50.32 C ATOM 1825 O GLY A 120 18.153 -13.124 18.682 1.00 23.03 O ATOM 0 H GLY A 120 17.450 -11.045 21.658 1.00 64.24 H new ATOM 0 HA2 GLY A 120 19.548 -10.953 20.651 1.00 43.41 H new ATOM 0 HA3 GLY A 120 19.716 -12.694 20.764 1.00 43.41 H new ATOM 1829 N ASN A 121 18.524 -10.926 18.380 1.00 25.10 N ATOM 1830 CA ASN A 121 18.079 -10.930 16.991 1.00 15.25 C ATOM 1831 C ASN A 121 18.198 -9.538 16.378 1.00 15.02 C ATOM 1832 O ASN A 121 18.640 -9.385 15.241 1.00 65.13 O ATOM 1833 CB ASN A 121 16.631 -11.418 16.900 1.00 2.42 C ATOM 1834 CG ASN A 121 16.429 -12.421 15.781 1.00 13.03 C ATOM 1835 OD1 ASN A 121 16.827 -13.581 15.893 1.00 52.42 O ATOM 1836 ND2 ASN A 121 15.807 -11.978 14.695 1.00 42.24 N ATOM 0 H ASN A 121 18.827 -10.015 18.723 1.00 25.10 H new ATOM 0 HA ASN A 121 18.721 -11.610 16.431 1.00 15.25 H new ATOM 0 HB2 ASN A 121 16.343 -11.872 17.848 1.00 2.42 H new ATOM 0 HB3 ASN A 121 15.972 -10.564 16.743 1.00 2.42 H new ATOM 0 HD21 ASN A 121 15.642 -12.607 13.910 1.00 42.24 H new ATOM 0 HD22 ASN A 121 15.494 -11.008 14.646 1.00 42.24 H new ATOM 1843 N GLY A 122 17.799 -8.525 17.141 1.00 12.33 N ATOM 1844 CA GLY A 122 17.869 -7.159 16.657 1.00 41.43 C ATOM 1845 C GLY A 122 16.533 -6.655 16.147 1.00 44.20 C ATOM 1846 O GLY A 122 15.893 -5.816 16.783 1.00 62.44 O ATOM 0 H GLY A 122 17.428 -8.626 18.086 1.00 12.33 H new ATOM 0 HA2 GLY A 122 18.216 -6.509 17.461 1.00 41.43 H new ATOM 0 HA3 GLY A 122 18.606 -7.098 15.857 1.00 41.43 H new ATOM 1850 N THR A 123 16.111 -7.165 14.995 1.00 74.45 N ATOM 1851 CA THR A 123 14.844 -6.760 14.398 1.00 61.30 C ATOM 1852 C THR A 123 13.709 -7.674 14.845 1.00 73.13 C ATOM 1853 O THR A 123 13.844 -8.898 14.837 1.00 2.21 O ATOM 1854 CB THR A 123 14.920 -6.769 12.860 1.00 54.45 C ATOM 1855 OG1 THR A 123 16.271 -6.981 12.437 1.00 70.45 O ATOM 1856 CG2 THR A 123 14.403 -5.458 12.285 1.00 5.12 C ATOM 0 H THR A 123 16.628 -7.860 14.456 1.00 74.45 H new ATOM 0 HA THR A 123 14.644 -5.744 14.739 1.00 61.30 H new ATOM 0 HB THR A 123 14.293 -7.581 12.492 1.00 54.45 H new ATOM 0 HG1 THR A 123 16.310 -6.987 11.458 1.00 70.45 H new ATOM 0 HG21 THR A 123 14.466 -5.488 11.197 1.00 5.12 H new ATOM 0 HG22 THR A 123 13.365 -5.314 12.584 1.00 5.12 H new ATOM 0 HG23 THR A 123 15.007 -4.632 12.661 1.00 5.12 H new ATOM 1864 N TYR A 124 12.590 -7.073 15.233 1.00 54.12 N ATOM 1865 CA TYR A 124 11.431 -7.833 15.685 1.00 74.44 C ATOM 1866 C TYR A 124 10.136 -7.210 15.171 1.00 22.11 C ATOM 1867 O TYR A 124 10.028 -5.990 15.044 1.00 3.01 O ATOM 1868 CB TYR A 124 11.405 -7.904 17.212 1.00 13.04 C ATOM 1869 CG TYR A 124 12.660 -8.496 17.813 1.00 72.15 C ATOM 1870 CD1 TYR A 124 13.827 -7.749 17.907 1.00 45.21 C ATOM 1871 CD2 TYR A 124 12.679 -9.803 18.284 1.00 14.22 C ATOM 1872 CE1 TYR A 124 14.977 -8.286 18.454 1.00 51.32 C ATOM 1873 CE2 TYR A 124 13.823 -10.347 18.834 1.00 71.41 C ATOM 1874 CZ TYR A 124 14.969 -9.585 18.916 1.00 25.13 C ATOM 1875 OH TYR A 124 16.112 -10.124 19.462 1.00 72.40 O ATOM 0 H TYR A 124 12.461 -6.061 15.244 1.00 54.12 H new ATOM 0 HA TYR A 124 11.512 -8.843 15.283 1.00 74.44 H new ATOM 0 HB2 TYR A 124 11.260 -6.900 17.611 1.00 13.04 H new ATOM 0 HB3 TYR A 124 10.547 -8.499 17.525 1.00 13.04 H new ATOM 0 HD1 TYR A 124 13.836 -6.731 17.546 1.00 45.21 H new ATOM 0 HD2 TYR A 124 11.784 -10.404 18.219 1.00 14.22 H new ATOM 0 HE1 TYR A 124 15.876 -7.692 18.519 1.00 51.32 H new ATOM 0 HE2 TYR A 124 13.820 -11.364 19.198 1.00 71.41 H new ATOM 0 HH TYR A 124 15.989 -10.243 20.427 1.00 72.40 H new ATOM 1885 N HIS A 125 9.155 -8.057 14.878 1.00 72.43 N ATOM 1886 CA HIS A 125 7.866 -7.591 14.379 1.00 72.20 C ATOM 1887 C HIS A 125 6.734 -8.483 14.882 1.00 42.43 C ATOM 1888 O HIS A 125 6.925 -9.663 15.175 1.00 73.11 O ATOM 1889 CB HIS A 125 7.867 -7.562 12.850 1.00 10.03 C ATOM 1890 CG HIS A 125 9.119 -6.986 12.263 1.00 33.12 C ATOM 1891 ND1 HIS A 125 10.077 -7.753 11.635 1.00 41.24 N ATOM 1892 CD2 HIS A 125 9.566 -5.710 12.210 1.00 11.31 C ATOM 1893 CE1 HIS A 125 11.060 -6.973 11.222 1.00 64.11 C ATOM 1894 NE2 HIS A 125 10.774 -5.728 11.558 1.00 24.33 N ATOM 0 H HIS A 125 9.228 -9.070 14.977 1.00 72.43 H new ATOM 0 HA HIS A 125 7.703 -6.581 14.754 1.00 72.20 H new ATOM 0 HB2 HIS A 125 7.733 -8.577 12.475 1.00 10.03 H new ATOM 0 HB3 HIS A 125 7.012 -6.980 12.505 1.00 10.03 H new ATOM 0 HD2 HIS A 125 9.065 -4.839 12.607 1.00 11.31 H new ATOM 0 HE1 HIS A 125 11.947 -7.298 10.698 1.00 64.11 H new ATOM 0 HE2 HIS A 125 11.356 -4.913 11.365 1.00 24.33 H new ATOM 1902 N PRO A 126 5.527 -7.906 14.985 1.00 25.21 N ATOM 1903 CA PRO A 126 4.342 -8.630 15.453 1.00 72.34 C ATOM 1904 C PRO A 126 3.866 -9.673 14.447 1.00 32.54 C ATOM 1905 O PRO A 126 3.883 -9.437 13.240 1.00 61.22 O ATOM 1906 CB PRO A 126 3.293 -7.527 15.615 1.00 44.20 C ATOM 1907 CG PRO A 126 3.725 -6.453 14.677 1.00 71.35 C ATOM 1908 CD PRO A 126 5.228 -6.503 14.653 1.00 74.20 C ATOM 0 HA PRO A 126 4.540 -9.187 16.369 1.00 72.34 H new ATOM 0 HB2 PRO A 126 2.295 -7.890 15.369 1.00 44.20 H new ATOM 0 HB3 PRO A 126 3.255 -7.164 16.642 1.00 44.20 H new ATOM 0 HG2 PRO A 126 3.313 -6.616 13.681 1.00 71.35 H new ATOM 0 HG3 PRO A 126 3.372 -5.477 15.012 1.00 71.35 H new ATOM 0 HD2 PRO A 126 5.624 -6.228 13.675 1.00 74.20 H new ATOM 0 HD3 PRO A 126 5.665 -5.816 15.378 1.00 74.20 H new ATOM 1916 N GLN A 127 3.441 -10.826 14.954 1.00 23.52 N ATOM 1917 CA GLN A 127 2.961 -11.905 14.099 1.00 30.52 C ATOM 1918 C GLN A 127 1.440 -11.881 13.995 1.00 74.22 C ATOM 1919 O GLN A 127 0.780 -12.912 14.133 1.00 0.13 O ATOM 1920 CB GLN A 127 3.425 -13.259 14.640 1.00 3.34 C ATOM 1921 CG GLN A 127 2.907 -13.566 16.036 1.00 3.12 C ATOM 1922 CD GLN A 127 3.934 -14.275 16.897 1.00 61.11 C ATOM 1923 OE1 GLN A 127 4.893 -14.856 16.388 1.00 61.12 O ATOM 1924 NE2 GLN A 127 3.739 -14.231 18.210 1.00 74.24 N ATOM 0 H GLN A 127 3.419 -11.037 15.952 1.00 23.52 H new ATOM 0 HA GLN A 127 3.378 -11.758 13.103 1.00 30.52 H new ATOM 0 HB2 GLN A 127 3.098 -14.045 13.959 1.00 3.34 H new ATOM 0 HB3 GLN A 127 4.515 -13.282 14.653 1.00 3.34 H new ATOM 0 HG2 GLN A 127 2.611 -12.636 16.522 1.00 3.12 H new ATOM 0 HG3 GLN A 127 2.013 -14.185 15.960 1.00 3.12 H new ATOM 0 HE21 GLN A 127 2.931 -13.738 18.589 1.00 74.24 H new ATOM 0 HE22 GLN A 127 4.398 -14.690 18.839 1.00 74.24 H new ATOM 1933 N THR A 128 0.887 -10.697 13.750 1.00 31.00 N ATOM 1934 CA THR A 128 -0.557 -10.538 13.629 1.00 43.13 C ATOM 1935 C THR A 128 -1.079 -11.205 12.362 1.00 61.24 C ATOM 1936 O THR A 128 -0.354 -11.342 11.376 1.00 62.42 O ATOM 1937 CB THR A 128 -0.959 -9.051 13.615 1.00 3.02 C ATOM 1938 OG1 THR A 128 0.045 -8.266 14.269 1.00 34.23 O ATOM 1939 CG2 THR A 128 -2.299 -8.847 14.305 1.00 52.51 C ATOM 0 H THR A 128 1.418 -9.834 13.631 1.00 31.00 H new ATOM 0 HA THR A 128 -1.002 -11.019 14.500 1.00 43.13 H new ATOM 0 HB THR A 128 -1.050 -8.731 12.577 1.00 3.02 H new ATOM 0 HG1 THR A 128 -0.217 -7.322 14.254 1.00 34.23 H new ATOM 0 HG21 THR A 128 -2.562 -7.790 14.283 1.00 52.51 H new ATOM 0 HG22 THR A 128 -3.066 -9.423 13.787 1.00 52.51 H new ATOM 0 HG23 THR A 128 -2.230 -9.182 15.340 1.00 52.51 H new TER 1947 THR A 128